1H-indol-2-yl-bis(4-methoxyphenyl)methanol

C23H21NO3 — CID 172743573

IUPAC1H-indol-2-yl-bis(4-methoxyphenyl)methanol
SMILESCOc1ccc(C(O)(c2ccc(OC)cc2)c2cc3ccccc3[nH]2)cc1
InChIInChI=1S/C23H21NO3/c1-26-19-11-7-17(8-12-19)23(25,18-9-13-20(27-2)14-10-18)22-15-16-5-3-4-6-21(16)24-22/h3-15,24-25H,1-2H3
InChIKeyJKOQJSGSNQPHHE-UHFFFAOYSA-N
MW359.43 g/mol
LogP4.47
Rot. Bonds5

About 1H-indol-2-yl-bis(4-methoxyphenyl)methanol

1H-indol-2-yl-bis(4-methoxyphenyl)methanol (PubChem CID 172743573) has the molecular formula C23H21NO3 and a molecular weight of 359.43 g/mol. Its IUPAC name is 1H-indol-2-yl-bis(4-methoxyphenyl)methanol.

Molecular Properties

Compound Name1H-indol-2-yl-bis(4-methoxyphenyl)methanol
PubChem CID172743573
Molecular FormulaC23H21NO3
Molecular Weight359.43 g/mol
Exact Mass359.15
IUPAC Name1H-indol-2-yl-bis(4-methoxyphenyl)methanol
SMILESCOc1ccc(C(O)(c2ccc(OC)cc2)c2cc3ccccc3[nH]2)cc1
InChIInChI=1S/C23H21NO3/c1-26-19-11-7-17(8-12-19)23(25,18-9-13-20(27-2)14-10-18)22-15-16-5-3-4-6-21(16)24-22/h3-15,24-25H,1-2H3
InChIKeyJKOQJSGSNQPHHE-UHFFFAOYSA-N
XLogP4.47
TPSA54.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.43
LogP ≤ 54.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

bis(4-methoxyphenyl)-naphthalen-2-ylmethanol
CID 23069554
1-(4-methoxyphenyl)-1,2,2-triphenylethane-1,2-diol
CID 70611668
2-(2,5-dimethoxyphenyl)-1H-indole
CID 4714964
methyl 2-cyclopentyl-2-hydroxy-2-(1H-indol-2-yl)acetate
CID 141249860
ethane;2-[(E)-2-(4-methoxyphenyl)ethenyl]-1H-indole
CID 143581960
4-[hydroxy-(2-methoxyphenyl)-(4-methoxyphenyl)methyl]phenol
CID 156785971
2-(6-methoxy-1H-indol-2-yl)-N-methylpropan-2-amine
CID 82615050
(3-methoxynaphthalen-2-yl)-diphenylmethanol
CID 135034011
3-[[(4-tert-butylphenyl)methyl-[(4-methoxyphenyl)methyl]amino]methyl]-1H-quinolin-2-one
CID 166632914
1,1,1,3,3,3-hexadeuterio-2-(4-methoxyphenyl)propan-2-ol
CID 71313445
[bis(4-methoxyphenyl)-phenylmethyl]-λ2-stannane
CID 174814552
2,2-difluoro-2-(1H-indol-2-yl)acetic acid
CID 84723265

Frequently Asked Questions

What is the IUPAC name of 1H-indol-2-yl-bis(4-methoxyphenyl)methanol?
The IUPAC name of 1H-indol-2-yl-bis(4-methoxyphenyl)methanol (CID 172743573) is 1H-indol-2-yl-bis(4-methoxyphenyl)methanol.
What is the SMILES notation for 1H-indol-2-yl-bis(4-methoxyphenyl)methanol?
The canonical SMILES for 1H-indol-2-yl-bis(4-methoxyphenyl)methanol is COc1ccc(C(O)(c2ccc(OC)cc2)c2cc3ccccc3[nH]2)cc1.
What is the InChIKey of 1H-indol-2-yl-bis(4-methoxyphenyl)methanol?
The InChIKey is JKOQJSGSNQPHHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21NO3/c1-26-19-11-7-17(8-12-19)23(25,18-9-13-20(27-2)14-10-18)22-15-16-5-3-4-6-21(16)24-22/h3-15,24-25H,1-2H3.
What are the key properties of 1H-indol-2-yl-bis(4-methoxyphenyl)methanol?
1H-indol-2-yl-bis(4-methoxyphenyl)methanol has a molecular weight of 359.43 g/mol, XLogP of 4.47, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1H-indol-2-yl-bis(4-methoxyphenyl)methanol is sourced from PubChem (CID 172743573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).