2-[1-[2-(2-hydroxyphenyl)-3-methylnaphthalen-1-yl]-3-methylnaphthalen-2-yl]phenol

C34H26O2 — CID 4181148

IUPAC2-[1-[2-(2-hydroxyphenyl)-3-methylnaphthalen-1-yl]-3-methylnaphthalen-2-yl]phenol
SMILESCc1cc2ccccc2c(-c2c(-c3ccccc3O)c(C)cc3ccccc23)c1-c1ccccc1O
InChIInChI=1S/C34H26O2/c1-21-19-23-11-3-5-13-25(23)33(31(21)27-15-7-9-17-29(27)35)34-26-14-6-4-12-24(26)20-22(2)32(34)28-16-8-10-18-30(28)36/h3-20,35-36H,1-2H3
InChIKeyTVZDKWXYMPLLEV-UHFFFAOYSA-N
MW466.58 g/mol
LogP9.02
Rot. Bonds3

About 2-[1-[2-(2-hydroxyphenyl)-3-methylnaphthalen-1-yl]-3-methylnaphthalen-2-yl]phenol

2-[1-[2-(2-hydroxyphenyl)-3-methylnaphthalen-1-yl]-3-methylnaphthalen-2-yl]phenol (PubChem CID 4181148) has the molecular formula C34H26O2 and a molecular weight of 466.58 g/mol. Its IUPAC name is 2-[1-[2-(2-hydroxyphenyl)-3-methylnaphthalen-1-yl]-3-methylnaphthalen-2-yl]phenol.

Molecular Properties

Compound Name2-[1-[2-(2-hydroxyphenyl)-3-methylnaphthalen-1-yl]-3-methylnaphthalen-2-yl]phenol
PubChem CID4181148
Molecular FormulaC34H26O2
Molecular Weight466.58 g/mol
Exact Mass466.19
IUPAC Name2-[1-[2-(2-hydroxyphenyl)-3-methylnaphthalen-1-yl]-3-methylnaphthalen-2-yl]phenol
SMILESCc1cc2ccccc2c(-c2c(-c3ccccc3O)c(C)cc3ccccc23)c1-c1ccccc1O
InChIInChI=1S/C34H26O2/c1-21-19-23-11-3-5-13-25(23)33(31(21)27-15-7-9-17-29(27)35)34-26-14-6-4-12-24(26)20-22(2)32(34)28-16-8-10-18-30(28)36/h3-20,35-36H,1-2H3
InChIKeyTVZDKWXYMPLLEV-UHFFFAOYSA-N
XLogP9.02
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500466.58
LogP ≤ 59.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

6-methylbenzo[a]anthracene-7,12-dione
CID 12934886
2,3-dimethyl-1-naphthalen-1-ylnaphthalene
CID 54572329
3-methyl-2-phenylnaphthalen-1-ol
CID 68536757
4-[10-(5-anthracen-9-yl-2,4-dihydroxyphenyl)anthracen-9-yl]-6-[3,5-bis[5-[10-(5-anthracen-9-yl-2,4-dihydroxyphenyl)anthracen-9-yl]-2,4-dihydroxyphenyl]-2,4,6-trimethylphenyl]benzene-1,3-diol
CID 122211768
4-anthracen-9-yl-2-methylphenol
CID 156873853
2-(2-bromonaphthalen-1-yl)phenol
CID 122642120
10,15-dimethyl-12,13-dithiapentacyclo[12.8.0.02,11.03,8.017,22]docosa-1(14),2(11),3,5,7,9,15,17,19,21-decaene
CID 57370960
2-indeno[1,2-c]chromen-6-ylphenol
CID 102205872
2-(4-methylnaphthalen-1-yl)phenol
CID 53405208
2-(2-hydroxyphenyl)-3,6-dimethylphenol
CID 101298934
2-fluoro-3-methylnaphthalen-1-ol
CID 150732713
naphthalene;2-(10-phenylanthracen-9-yl)phenol
CID 157129237

Frequently Asked Questions

What is the IUPAC name of 2-[1-[2-(2-hydroxyphenyl)-3-methylnaphthalen-1-yl]-3-methylnaphthalen-2-yl]phenol?
The IUPAC name of 2-[1-[2-(2-hydroxyphenyl)-3-methylnaphthalen-1-yl]-3-methylnaphthalen-2-yl]phenol (CID 4181148) is 2-[1-[2-(2-hydroxyphenyl)-3-methylnaphthalen-1-yl]-3-methylnaphthalen-2-yl]phenol.
What is the SMILES notation for 2-[1-[2-(2-hydroxyphenyl)-3-methylnaphthalen-1-yl]-3-methylnaphthalen-2-yl]phenol?
The canonical SMILES for 2-[1-[2-(2-hydroxyphenyl)-3-methylnaphthalen-1-yl]-3-methylnaphthalen-2-yl]phenol is Cc1cc2ccccc2c(-c2c(-c3ccccc3O)c(C)cc3ccccc23)c1-c1ccccc1O.
What is the InChIKey of 2-[1-[2-(2-hydroxyphenyl)-3-methylnaphthalen-1-yl]-3-methylnaphthalen-2-yl]phenol?
The InChIKey is TVZDKWXYMPLLEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H26O2/c1-21-19-23-11-3-5-13-25(23)33(31(21)27-15-7-9-17-29(27)35)34-26-14-6-4-12-24(26)20-22(2)32(34)28-16-8-10-18-30(28)36/h3-20,35-36H,1-2H3.
What are the key properties of 2-[1-[2-(2-hydroxyphenyl)-3-methylnaphthalen-1-yl]-3-methylnaphthalen-2-yl]phenol?
2-[1-[2-(2-hydroxyphenyl)-3-methylnaphthalen-1-yl]-3-methylnaphthalen-2-yl]phenol has a molecular weight of 466.58 g/mol, XLogP of 9.02, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[2-(2-hydroxyphenyl)-3-methylnaphthalen-1-yl]-3-methylnaphthalen-2-yl]phenol is sourced from PubChem (CID 4181148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).