(3-methyl-4-phenylmethoxy-1H-indol-2-yl)methanol

C17H17NO2 — CID 154159403

IUPAC(3-methyl-4-phenylmethoxy-1H-indol-2-yl)methanol
SMILESCc1c(CO)[nH]c2cccc(OCc3ccccc3)c12
InChIInChI=1S/C17H17NO2/c1-12-15(10-19)18-14-8-5-9-16(17(12)14)20-11-13-6-3-2-4-7-13/h2-9,18-19H,10-11H2,1H3
InChIKeyBIDIIKPRDPFODW-UHFFFAOYSA-N
MW267.33 g/mol
LogP3.55
Rot. Bonds4

About (3-methyl-4-phenylmethoxy-1H-indol-2-yl)methanol

(3-methyl-4-phenylmethoxy-1H-indol-2-yl)methanol (PubChem CID 154159403) has the molecular formula C17H17NO2 and a molecular weight of 267.33 g/mol. Its IUPAC name is (3-methyl-4-phenylmethoxy-1H-indol-2-yl)methanol.

Molecular Properties

Compound Name(3-methyl-4-phenylmethoxy-1H-indol-2-yl)methanol
PubChem CID154159403
Molecular FormulaC17H17NO2
Molecular Weight267.33 g/mol
Exact Mass267.13
IUPAC Name(3-methyl-4-phenylmethoxy-1H-indol-2-yl)methanol
SMILESCc1c(CO)[nH]c2cccc(OCc3ccccc3)c12
InChIInChI=1S/C17H17NO2/c1-12-15(10-19)18-14-8-5-9-16(17(12)14)20-11-13-6-3-2-4-7-13/h2-9,18-19H,10-11H2,1H3
InChIKeyBIDIIKPRDPFODW-UHFFFAOYSA-N
XLogP3.55
TPSA45.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.33
LogP ≤ 53.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(2-methyl-3-phenylmethoxyphenyl)methanol
CID 58087471
1-(3-hydroxy-4-phenylmethoxy-1H-indol-2-yl)ethanone
CID 67641963
ethane;(2-methyl-3-phenylmethoxyphenyl)methanol
CID 143384106
[2-(hydroxymethyl)-3-phenylmethoxyphenyl]methanol
CID 54499676
1-(4-phenylmethoxy-1H-indol-3-yl)ethanone
CID 158905078
2-(4-phenylmethoxy-1H-indol-2-yl)ethanol
CID 152723537
ethyl 10-phenylmethoxy-1,2,3,6-tetrahydroazepino[4,5-b]indole-5-carboxylate
CID 66640912
[2,6-bis[[3,5-bis(phenylmethoxy)phenyl]methoxy]phenyl]methanol
CID 101008055
methyl 2-phenyl-9-phenylmethoxy-5H-pyrido[3,2-b]indole-4-carboxylate
CID 66604014
N,N-dimethyl-5-phenylmethoxy-2,3,4,9-tetrahydro-1H-carbazol-3-amine
CID 12891865
4-phenylmethoxy-1H-indole-3-carbonitrile
CID 12798006
2-(2-methyl-6-phenylmethoxyphenyl)acetic acid
CID 14519888

Frequently Asked Questions

What is the IUPAC name of (3-methyl-4-phenylmethoxy-1H-indol-2-yl)methanol?
The IUPAC name of (3-methyl-4-phenylmethoxy-1H-indol-2-yl)methanol (CID 154159403) is (3-methyl-4-phenylmethoxy-1H-indol-2-yl)methanol.
What is the SMILES notation for (3-methyl-4-phenylmethoxy-1H-indol-2-yl)methanol?
The canonical SMILES for (3-methyl-4-phenylmethoxy-1H-indol-2-yl)methanol is Cc1c(CO)[nH]c2cccc(OCc3ccccc3)c12.
What is the InChIKey of (3-methyl-4-phenylmethoxy-1H-indol-2-yl)methanol?
The InChIKey is BIDIIKPRDPFODW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17NO2/c1-12-15(10-19)18-14-8-5-9-16(17(12)14)20-11-13-6-3-2-4-7-13/h2-9,18-19H,10-11H2,1H3.
What are the key properties of (3-methyl-4-phenylmethoxy-1H-indol-2-yl)methanol?
(3-methyl-4-phenylmethoxy-1H-indol-2-yl)methanol has a molecular weight of 267.33 g/mol, XLogP of 3.55, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3-methyl-4-phenylmethoxy-1H-indol-2-yl)methanol is sourced from PubChem (CID 154159403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).