phenyl-[2-(2,3,4-trimethylcyclopenta-2,4-dien-1-yl)naphthalen-1-yl]methanol

C25H24O — CID 141067446

IUPACphenyl-[2-(2,3,4-trimethylcyclopenta-2,4-dien-1-yl)naphthalen-1-yl]methanol
SMILESCC1=CC(c2ccc3ccccc3c2C(O)c2ccccc2)C(C)=C1C
InChIInChI=1S/C25H24O/c1-16-15-23(18(3)17(16)2)22-14-13-19-9-7-8-12-21(19)24(22)25(26)20-10-5-4-6-11-20/h4-15,23,25-26H,1-3H3
InChIKeyFZKZSPHMVVVMHB-UHFFFAOYSA-N
MW340.47 g/mol
LogP6.30
Rot. Bonds3

About phenyl-[2-(2,3,4-trimethylcyclopenta-2,4-dien-1-yl)naphthalen-1-yl]methanol

phenyl-[2-(2,3,4-trimethylcyclopenta-2,4-dien-1-yl)naphthalen-1-yl]methanol (PubChem CID 141067446) has the molecular formula C25H24O and a molecular weight of 340.47 g/mol. Its IUPAC name is phenyl-[2-(2,3,4-trimethylcyclopenta-2,4-dien-1-yl)naphthalen-1-yl]methanol.

Molecular Properties

Compound Namephenyl-[2-(2,3,4-trimethylcyclopenta-2,4-dien-1-yl)naphthalen-1-yl]methanol
PubChem CID141067446
Molecular FormulaC25H24O
Molecular Weight340.47 g/mol
Exact Mass340.18
IUPAC Namephenyl-[2-(2,3,4-trimethylcyclopenta-2,4-dien-1-yl)naphthalen-1-yl]methanol
SMILESCC1=CC(c2ccc3ccccc3c2C(O)c2ccccc2)C(C)=C1C
InChIInChI=1S/C25H24O/c1-16-15-23(18(3)17(16)2)22-14-13-19-9-7-8-12-21(19)24(22)25(26)20-10-5-4-6-11-20/h4-15,23,25-26H,1-3H3
InChIKeyFZKZSPHMVVVMHB-UHFFFAOYSA-N
XLogP6.30
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500340.47
LogP ≤ 56.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of phenyl-[2-(2,3,4-trimethylcyclopenta-2,4-dien-1-yl)naphthalen-1-yl]methanol?
The IUPAC name of phenyl-[2-(2,3,4-trimethylcyclopenta-2,4-dien-1-yl)naphthalen-1-yl]methanol (CID 141067446) is phenyl-[2-(2,3,4-trimethylcyclopenta-2,4-dien-1-yl)naphthalen-1-yl]methanol.
What is the SMILES notation for phenyl-[2-(2,3,4-trimethylcyclopenta-2,4-dien-1-yl)naphthalen-1-yl]methanol?
The canonical SMILES for phenyl-[2-(2,3,4-trimethylcyclopenta-2,4-dien-1-yl)naphthalen-1-yl]methanol is CC1=CC(c2ccc3ccccc3c2C(O)c2ccccc2)C(C)=C1C.
What is the InChIKey of phenyl-[2-(2,3,4-trimethylcyclopenta-2,4-dien-1-yl)naphthalen-1-yl]methanol?
The InChIKey is FZKZSPHMVVVMHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24O/c1-16-15-23(18(3)17(16)2)22-14-13-19-9-7-8-12-21(19)24(22)25(26)20-10-5-4-6-11-20/h4-15,23,25-26H,1-3H3.
What are the key properties of phenyl-[2-(2,3,4-trimethylcyclopenta-2,4-dien-1-yl)naphthalen-1-yl]methanol?
phenyl-[2-(2,3,4-trimethylcyclopenta-2,4-dien-1-yl)naphthalen-1-yl]methanol has a molecular weight of 340.47 g/mol, XLogP of 6.30, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for phenyl-[2-(2,3,4-trimethylcyclopenta-2,4-dien-1-yl)naphthalen-1-yl]methanol is sourced from PubChem (CID 141067446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).