2-[(3,7-dimethyl-1H-indol-2-yl)-phenylmethyl]phenol

C23H21NO — CID 132583305

IUPAC2-[(3,7-dimethyl-1H-indol-2-yl)-phenylmethyl]phenol
SMILESCc1c(C(c2ccccc2)c2ccccc2O)[nH]c2c(C)cccc12
InChIInChI=1S/C23H21NO/c1-15-9-8-13-18-16(2)23(24-22(15)18)21(17-10-4-3-5-11-17)19-12-6-7-14-20(19)25/h3-14,21,24-25H,1-2H3
InChIKeyCYPOPLVIXLMTEQ-UHFFFAOYSA-N
MW327.43 g/mol
LogP5.67
Rot. Bonds3

About 2-[(3,7-dimethyl-1H-indol-2-yl)-phenylmethyl]phenol

2-[(3,7-dimethyl-1H-indol-2-yl)-phenylmethyl]phenol (PubChem CID 132583305) has the molecular formula C23H21NO and a molecular weight of 327.43 g/mol. Its IUPAC name is 2-[(3,7-dimethyl-1H-indol-2-yl)-phenylmethyl]phenol.

Molecular Properties

Compound Name2-[(3,7-dimethyl-1H-indol-2-yl)-phenylmethyl]phenol
PubChem CID132583305
Molecular FormulaC23H21NO
Molecular Weight327.43 g/mol
Exact Mass327.16
IUPAC Name2-[(3,7-dimethyl-1H-indol-2-yl)-phenylmethyl]phenol
SMILESCc1c(C(c2ccccc2)c2ccccc2O)[nH]c2c(C)cccc12
InChIInChI=1S/C23H21NO/c1-15-9-8-13-18-16(2)23(24-22(15)18)21(17-10-4-3-5-11-17)19-12-6-7-14-20(19)25/h3-14,21,24-25H,1-2H3
InChIKeyCYPOPLVIXLMTEQ-UHFFFAOYSA-N
XLogP5.67
TPSA36.02 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500327.43
LogP ≤ 55.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

2-benzhydryl-6-methylphenol
CID 154120751
2-[(2-hydroxy-3-methylphenyl)-(2-hydroxyphenyl)methyl]-6-methylphenol
CID 141022269
4-tert-butyl-2-[(3,6-dimethyl-1H-indol-2-yl)-phenylmethyl]phenol
CID 132583299
3,7-dimethyl-1H-indole-2-carboxylic acid;ethane
CID 145321259
1-[5-[(4-acetyl-3,5-dimethyl-1H-pyrrol-2-yl)-(2-hydroxyphenyl)methyl]-2,4-dimethyl-1H-pyrrol-3-yl]ethanone
CID 71680203
(2-bromo-3-methylphenyl)-phenylmethanol
CID 107983305
2-[1-(2-hydroxyphenyl)ethyl]-3-methylphenol
CID 66812750
[(2,3-dimethylphenyl)-phenylmethyl]phosphane
CID 67637455
2-[(4-bromophenyl)-(2-hydroxyphenyl)methyl]phenol
CID 141163589
3-methyl-2-[[3-methyl-7-[(1-methylquinolin-1-ium-3-yl)carbamoyl]-1H-indol-2-yl]-phenylmethyl]-N-(1-methylquinolin-1-ium-3-yl)-1H-indole-7-carboxamide
CID 132991441
2-methyl-6-(1-phenylpropyl)phenol
CID 123572881
2-[bis(5-methylthiophen-2-yl)methyl]phenol
CID 135031967

Frequently Asked Questions

What is the IUPAC name of 2-[(3,7-dimethyl-1H-indol-2-yl)-phenylmethyl]phenol?
The IUPAC name of 2-[(3,7-dimethyl-1H-indol-2-yl)-phenylmethyl]phenol (CID 132583305) is 2-[(3,7-dimethyl-1H-indol-2-yl)-phenylmethyl]phenol.
What is the SMILES notation for 2-[(3,7-dimethyl-1H-indol-2-yl)-phenylmethyl]phenol?
The canonical SMILES for 2-[(3,7-dimethyl-1H-indol-2-yl)-phenylmethyl]phenol is Cc1c(C(c2ccccc2)c2ccccc2O)[nH]c2c(C)cccc12.
What is the InChIKey of 2-[(3,7-dimethyl-1H-indol-2-yl)-phenylmethyl]phenol?
The InChIKey is CYPOPLVIXLMTEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21NO/c1-15-9-8-13-18-16(2)23(24-22(15)18)21(17-10-4-3-5-11-17)19-12-6-7-14-20(19)25/h3-14,21,24-25H,1-2H3.
What are the key properties of 2-[(3,7-dimethyl-1H-indol-2-yl)-phenylmethyl]phenol?
2-[(3,7-dimethyl-1H-indol-2-yl)-phenylmethyl]phenol has a molecular weight of 327.43 g/mol, XLogP of 5.67, 3 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3,7-dimethyl-1H-indol-2-yl)-phenylmethyl]phenol is sourced from PubChem (CID 132583305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).