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

C76H72O5 — CID 162051574

IUPAC4-[9-(4-hydroxy-3-methylphenyl)fluoren-9-yl]-2-methylphenol;4-[9-[4-hydroxy-3-methyl-5-[1-(4-propan-2-ylphenyl)ethyl]phenyl]fluoren-9-yl]-2,6-dimethylphenol;4-propan-2-ylbenzaldehyde
SMILESCC(C)c1ccc(C=O)cc1.Cc1cc(C2(c3cc(C)c(O)c(C(C)c4ccc(C(C)C)cc4)c3)c3ccccc3-c3ccccc32)cc(C)c1O.Cc1cc(C2(c3ccc(O)c(C)c3)c3ccccc3-c3ccccc32)ccc1O
InChIInChI=1S/C39H38O2.C27H22O2.C10H12O/c1-23(2)28-15-17-29(18-16-28)27(6)34-22-31(21-26(5)38(34)41)39(30-19-24(3)37(40)25(4)20-30)35-13-9-7-11-32(35)33-12-8-10-14-36(33)39;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;1-8(2)10-5-3-9(7-11)4-6-10/h7-23,27,40-41H,1-6H3;3-16,28-29H,1-2H3;3-8H,1-2H3
InChIKeyYYPQHXHYHPHTDB-UHFFFAOYSA-N
MW1065.41 g/mol
LogP18.36
Rot. Bonds9

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

4-[9-(4-hydroxy-3-methylphenyl)fluoren-9-yl]-2-methylphenol;4-[9-[4-hydroxy-3-methyl-5-[1-(4-propan-2-ylphenyl)ethyl]phenyl]fluoren-9-yl]-2,6-dimethylphenol;4-propan-2-ylbenzaldehyde (PubChem CID 162051574) has the molecular formula C76H72O5 and a molecular weight of 1065.41 g/mol. Its IUPAC name is 4-[9-(4-hydroxy-3-methylphenyl)fluoren-9-yl]-2-methylphenol;4-[9-[4-hydroxy-3-methyl-5-[1-(4-propan-2-ylphenyl)ethyl]phenyl]fluoren-9-yl]-2,6-dimethylphenol;4-propan-2-ylbenzaldehyde.

Molecular Properties

Compound Name4-[9-(4-hydroxy-3-methylphenyl)fluoren-9-yl]-2-methylphenol;4-[9-[4-hydroxy-3-methyl-5-[1-(4-propan-2-ylphenyl)ethyl]phenyl]fluoren-9-yl]-2,6-dimethylphenol;4-propan-2-ylbenzaldehyde
PubChem CID162051574
Molecular FormulaC76H72O5
Molecular Weight1065.41 g/mol
Exact Mass1064.54
IUPAC Name4-[9-(4-hydroxy-3-methylphenyl)fluoren-9-yl]-2-methylphenol;4-[9-[4-hydroxy-3-methyl-5-[1-(4-propan-2-ylphenyl)ethyl]phenyl]fluoren-9-yl]-2,6-dimethylphenol;4-propan-2-ylbenzaldehyde
SMILESCC(C)c1ccc(C=O)cc1.Cc1cc(C2(c3cc(C)c(O)c(C(C)c4ccc(C(C)C)cc4)c3)c3ccccc3-c3ccccc32)cc(C)c1O.Cc1cc(C2(c3ccc(O)c(C)c3)c3ccccc3-c3ccccc32)ccc1O
InChIInChI=1S/C39H38O2.C27H22O2.C10H12O/c1-23(2)28-15-17-29(18-16-28)27(6)34-22-31(21-26(5)38(34)41)39(30-19-24(3)37(40)25(4)20-30)35-13-9-7-11-32(35)33-12-8-10-14-36(33)39;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;1-8(2)10-5-3-9(7-11)4-6-10/h7-23,27,40-41H,1-6H3;3-16,28-29H,1-2H3;3-8H,1-2H3
InChIKeyYYPQHXHYHPHTDB-UHFFFAOYSA-N
XLogP18.36
TPSA97.99 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms81
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001065.41
LogP ≤ 518.36
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-methylphenyl)fluoren-9-yl]-2-methylphenol;4-[9-[4-hydroxy-3-methyl-5-[1-(4-propan-2-ylphenyl)ethyl]phenyl]fluoren-9-yl]-2,6-dimethylphenol;4-propan-2-ylbenzaldehyde with MolForge

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Frequently Asked Questions

What is the IUPAC name of 4-[9-(4-hydroxy-3-methylphenyl)fluoren-9-yl]-2-methylphenol;4-[9-[4-hydroxy-3-methyl-5-[1-(4-propan-2-ylphenyl)ethyl]phenyl]fluoren-9-yl]-2,6-dimethylphenol;4-propan-2-ylbenzaldehyde?
The IUPAC name of 4-[9-(4-hydroxy-3-methylphenyl)fluoren-9-yl]-2-methylphenol;4-[9-[4-hydroxy-3-methyl-5-[1-(4-propan-2-ylphenyl)ethyl]phenyl]fluoren-9-yl]-2,6-dimethylphenol;4-propan-2-ylbenzaldehyde (CID 162051574) is 4-[9-(4-hydroxy-3-methylphenyl)fluoren-9-yl]-2-methylphenol;4-[9-[4-hydroxy-3-methyl-5-[1-(4-propan-2-ylphenyl)ethyl]phenyl]fluoren-9-yl]-2,6-dimethylphenol;4-propan-2-ylbenzaldehyde.
What is the SMILES notation for 4-[9-(4-hydroxy-3-methylphenyl)fluoren-9-yl]-2-methylphenol;4-[9-[4-hydroxy-3-methyl-5-[1-(4-propan-2-ylphenyl)ethyl]phenyl]fluoren-9-yl]-2,6-dimethylphenol;4-propan-2-ylbenzaldehyde?
The canonical SMILES for 4-[9-(4-hydroxy-3-methylphenyl)fluoren-9-yl]-2-methylphenol;4-[9-[4-hydroxy-3-methyl-5-[1-(4-propan-2-ylphenyl)ethyl]phenyl]fluoren-9-yl]-2,6-dimethylphenol;4-propan-2-ylbenzaldehyde is CC(C)c1ccc(C=O)cc1.Cc1cc(C2(c3cc(C)c(O)c(C(C)c4ccc(C(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-methylphenyl)fluoren-9-yl]-2-methylphenol;4-[9-[4-hydroxy-3-methyl-5-[1-(4-propan-2-ylphenyl)ethyl]phenyl]fluoren-9-yl]-2,6-dimethylphenol;4-propan-2-ylbenzaldehyde?
The InChIKey is YYPQHXHYHPHTDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C39H38O2.C27H22O2.C10H12O/c1-23(2)28-15-17-29(18-16-28)27(6)34-22-31(21-26(5)38(34)41)39(30-19-24(3)37(40)25(4)20-30)35-13-9-7-11-32(35)33-12-8-10-14-36(33)39;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;1-8(2)10-5-3-9(7-11)4-6-10/h7-23,27,40-41H,1-6H3;3-16,28-29H,1-2H3;3-8H,1-2H3.
What are the key properties of 4-[9-(4-hydroxy-3-methylphenyl)fluoren-9-yl]-2-methylphenol;4-[9-[4-hydroxy-3-methyl-5-[1-(4-propan-2-ylphenyl)ethyl]phenyl]fluoren-9-yl]-2,6-dimethylphenol;4-propan-2-ylbenzaldehyde?
4-[9-(4-hydroxy-3-methylphenyl)fluoren-9-yl]-2-methylphenol;4-[9-[4-hydroxy-3-methyl-5-[1-(4-propan-2-ylphenyl)ethyl]phenyl]fluoren-9-yl]-2,6-dimethylphenol;4-propan-2-ylbenzaldehyde has a molecular weight of 1065.41 g/mol, XLogP of 18.36, 9 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-methylphenyl)fluoren-9-yl]-2-methylphenol;4-[9-[4-hydroxy-3-methyl-5-[1-(4-propan-2-ylphenyl)ethyl]phenyl]fluoren-9-yl]-2,6-dimethylphenol;4-propan-2-ylbenzaldehyde is sourced from PubChem (CID 162051574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).