4-[9-[4-hydroxy-3-methyl-5-[1-[4-(2-methylpropyl)phenyl]ethyl]phenyl]fluoren-9-yl]-2,6-dimethylphenol;4-[9-(4-hydroxy-3-methylphenyl)fluoren-9-yl]-2-methylphenol;4-(2-methylpropyl)benzaldehyde

C78H76O5 — CID 162224702

IUPAC4-[9-[4-hydroxy-3-methyl-5-[1-[4-(2-methylpropyl)phenyl]ethyl]phenyl]fluoren-9-yl]-2,6-dimethylphenol;4-[9-(4-hydroxy-3-methylphenyl)fluoren-9-yl]-2-methylphenol;4-(2-methylpropyl)benzaldehyde
SMILESCC(C)Cc1ccc(C=O)cc1.Cc1cc(C2(c3cc(C)c(O)c(C(C)c4ccc(CC(C)C)cc4)c3)c3ccccc3-c3ccccc32)cc(C)c1O.Cc1cc(C2(c3ccc(O)c(C)c3)c3ccccc3-c3ccccc32)ccc1O
InChIInChI=1S/C40H40O2.C27H22O2.C11H14O/c1-24(2)19-29-15-17-30(18-16-29)28(6)35-23-32(22-27(5)39(35)42)40(31-20-25(3)38(41)26(4)21-31)36-13-9-7-11-33(36)34-12-8-10-14-37(34)40;1-17-15-19(11-13-25(17)28)27(20-12-14-26(29)18(2)16-20)23-9-5-3-7-21(23)22-8-4-6-10-24(22)27;1-9(2)7-10-3-5-11(8-12)6-4-10/h7-18,20-24,28,41-42H,19H2,1-6H3;3-16,28-29H,1-2H3;3-6,8-9H,7H2,1-2H3
InChIKeyZUPDANGRLUFOBX-UHFFFAOYSA-N
MW1093.46 g/mol
LogP18.51
Rot. Bonds11

About 4-[9-[4-hydroxy-3-methyl-5-[1-[4-(2-methylpropyl)phenyl]ethyl]phenyl]fluoren-9-yl]-2,6-dimethylphenol;4-[9-(4-hydroxy-3-methylphenyl)fluoren-9-yl]-2-methylphenol;4-(2-methylpropyl)benzaldehyde

4-[9-[4-hydroxy-3-methyl-5-[1-[4-(2-methylpropyl)phenyl]ethyl]phenyl]fluoren-9-yl]-2,6-dimethylphenol;4-[9-(4-hydroxy-3-methylphenyl)fluoren-9-yl]-2-methylphenol;4-(2-methylpropyl)benzaldehyde (PubChem CID 162224702) has the molecular formula C78H76O5 and a molecular weight of 1093.46 g/mol. Its IUPAC name is 4-[9-[4-hydroxy-3-methyl-5-[1-[4-(2-methylpropyl)phenyl]ethyl]phenyl]fluoren-9-yl]-2,6-dimethylphenol;4-[9-(4-hydroxy-3-methylphenyl)fluoren-9-yl]-2-methylphenol;4-(2-methylpropyl)benzaldehyde.

Molecular Properties

Compound Name4-[9-[4-hydroxy-3-methyl-5-[1-[4-(2-methylpropyl)phenyl]ethyl]phenyl]fluoren-9-yl]-2,6-dimethylphenol;4-[9-(4-hydroxy-3-methylphenyl)fluoren-9-yl]-2-methylphenol;4-(2-methylpropyl)benzaldehyde
PubChem CID162224702
Molecular FormulaC78H76O5
Molecular Weight1093.46 g/mol
Exact Mass1092.57
IUPAC Name4-[9-[4-hydroxy-3-methyl-5-[1-[4-(2-methylpropyl)phenyl]ethyl]phenyl]fluoren-9-yl]-2,6-dimethylphenol;4-[9-(4-hydroxy-3-methylphenyl)fluoren-9-yl]-2-methylphenol;4-(2-methylpropyl)benzaldehyde
SMILESCC(C)Cc1ccc(C=O)cc1.Cc1cc(C2(c3cc(C)c(O)c(C(C)c4ccc(CC(C)C)cc4)c3)c3ccccc3-c3ccccc32)cc(C)c1O.Cc1cc(C2(c3ccc(O)c(C)c3)c3ccccc3-c3ccccc32)ccc1O
InChIInChI=1S/C40H40O2.C27H22O2.C11H14O/c1-24(2)19-29-15-17-30(18-16-29)28(6)35-23-32(22-27(5)39(35)42)40(31-20-25(3)38(41)26(4)21-31)36-13-9-7-11-33(36)34-12-8-10-14-37(34)40;1-17-15-19(11-13-25(17)28)27(20-12-14-26(29)18(2)16-20)23-9-5-3-7-21(23)22-8-4-6-10-24(22)27;1-9(2)7-10-3-5-11(8-12)6-4-10/h7-18,20-24,28,41-42H,19H2,1-6H3;3-16,28-29H,1-2H3;3-6,8-9H,7H2,1-2H3
InChIKeyZUPDANGRLUFOBX-UHFFFAOYSA-N
XLogP18.51
TPSA97.99 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms83
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001093.46
LogP ≤ 518.51
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

Analyze 4-[9-[4-hydroxy-3-methyl-5-[1-[4-(2-methylpropyl)phenyl]ethyl]phenyl]fluoren-9-yl]-2,6-dimethylphenol;4-[9-(4-hydroxy-3-methylphenyl)fluoren-9-yl]-2-methylphenol;4-(2-methylpropyl)benzaldehyde with MolForge

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Frequently Asked Questions

What is the IUPAC name of 4-[9-[4-hydroxy-3-methyl-5-[1-[4-(2-methylpropyl)phenyl]ethyl]phenyl]fluoren-9-yl]-2,6-dimethylphenol;4-[9-(4-hydroxy-3-methylphenyl)fluoren-9-yl]-2-methylphenol;4-(2-methylpropyl)benzaldehyde?
The IUPAC name of 4-[9-[4-hydroxy-3-methyl-5-[1-[4-(2-methylpropyl)phenyl]ethyl]phenyl]fluoren-9-yl]-2,6-dimethylphenol;4-[9-(4-hydroxy-3-methylphenyl)fluoren-9-yl]-2-methylphenol;4-(2-methylpropyl)benzaldehyde (CID 162224702) is 4-[9-[4-hydroxy-3-methyl-5-[1-[4-(2-methylpropyl)phenyl]ethyl]phenyl]fluoren-9-yl]-2,6-dimethylphenol;4-[9-(4-hydroxy-3-methylphenyl)fluoren-9-yl]-2-methylphenol;4-(2-methylpropyl)benzaldehyde.
What is the SMILES notation for 4-[9-[4-hydroxy-3-methyl-5-[1-[4-(2-methylpropyl)phenyl]ethyl]phenyl]fluoren-9-yl]-2,6-dimethylphenol;4-[9-(4-hydroxy-3-methylphenyl)fluoren-9-yl]-2-methylphenol;4-(2-methylpropyl)benzaldehyde?
The canonical SMILES for 4-[9-[4-hydroxy-3-methyl-5-[1-[4-(2-methylpropyl)phenyl]ethyl]phenyl]fluoren-9-yl]-2,6-dimethylphenol;4-[9-(4-hydroxy-3-methylphenyl)fluoren-9-yl]-2-methylphenol;4-(2-methylpropyl)benzaldehyde is CC(C)Cc1ccc(C=O)cc1.Cc1cc(C2(c3cc(C)c(O)c(C(C)c4ccc(CC(C)C)cc4)c3)c3ccccc3-c3ccccc32)cc(C)c1O.Cc1cc(C2(c3ccc(O)c(C)c3)c3ccccc3-c3ccccc32)ccc1O.
What is the InChIKey of 4-[9-[4-hydroxy-3-methyl-5-[1-[4-(2-methylpropyl)phenyl]ethyl]phenyl]fluoren-9-yl]-2,6-dimethylphenol;4-[9-(4-hydroxy-3-methylphenyl)fluoren-9-yl]-2-methylphenol;4-(2-methylpropyl)benzaldehyde?
The InChIKey is ZUPDANGRLUFOBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C40H40O2.C27H22O2.C11H14O/c1-24(2)19-29-15-17-30(18-16-29)28(6)35-23-32(22-27(5)39(35)42)40(31-20-25(3)38(41)26(4)21-31)36-13-9-7-11-33(36)34-12-8-10-14-37(34)40;1-17-15-19(11-13-25(17)28)27(20-12-14-26(29)18(2)16-20)23-9-5-3-7-21(23)22-8-4-6-10-24(22)27;1-9(2)7-10-3-5-11(8-12)6-4-10/h7-18,20-24,28,41-42H,19H2,1-6H3;3-16,28-29H,1-2H3;3-6,8-9H,7H2,1-2H3.
What are the key properties of 4-[9-[4-hydroxy-3-methyl-5-[1-[4-(2-methylpropyl)phenyl]ethyl]phenyl]fluoren-9-yl]-2,6-dimethylphenol;4-[9-(4-hydroxy-3-methylphenyl)fluoren-9-yl]-2-methylphenol;4-(2-methylpropyl)benzaldehyde?
4-[9-[4-hydroxy-3-methyl-5-[1-[4-(2-methylpropyl)phenyl]ethyl]phenyl]fluoren-9-yl]-2,6-dimethylphenol;4-[9-(4-hydroxy-3-methylphenyl)fluoren-9-yl]-2-methylphenol;4-(2-methylpropyl)benzaldehyde has a molecular weight of 1093.46 g/mol, XLogP of 18.51, 11 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[9-[4-hydroxy-3-methyl-5-[1-[4-(2-methylpropyl)phenyl]ethyl]phenyl]fluoren-9-yl]-2,6-dimethylphenol;4-[9-(4-hydroxy-3-methylphenyl)fluoren-9-yl]-2-methylphenol;4-(2-methylpropyl)benzaldehyde is sourced from PubChem (CID 162224702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).