(1-phenylmethoxy-2,3-dihydrobenzo[e]indol-1-yl)methanol

C20H19NO2 — CID 67590586

IUPAC(1-phenylmethoxy-2,3-dihydrobenzo[e]indol-1-yl)methanol
SMILESOCC1(OCc2ccccc2)CNc2ccc3ccccc3c21
InChIInChI=1S/C20H19NO2/c22-14-20(23-12-15-6-2-1-3-7-15)13-21-18-11-10-16-8-4-5-9-17(16)19(18)20/h1-11,21-22H,12-14H2
InChIKeyDLZHKULGQHRALM-UHFFFAOYSA-N
MW305.38 g/mol
LogP3.67
Rot. Bonds4

About (1-phenylmethoxy-2,3-dihydrobenzo[e]indol-1-yl)methanol

(1-phenylmethoxy-2,3-dihydrobenzo[e]indol-1-yl)methanol (PubChem CID 67590586) has the molecular formula C20H19NO2 and a molecular weight of 305.38 g/mol. Its IUPAC name is (1-phenylmethoxy-2,3-dihydrobenzo[e]indol-1-yl)methanol.

Molecular Properties

Compound Name(1-phenylmethoxy-2,3-dihydrobenzo[e]indol-1-yl)methanol
PubChem CID67590586
Molecular FormulaC20H19NO2
Molecular Weight305.38 g/mol
Exact Mass305.14
IUPAC Name(1-phenylmethoxy-2,3-dihydrobenzo[e]indol-1-yl)methanol
SMILESOCC1(OCc2ccccc2)CNc2ccc3ccccc3c21
InChIInChI=1S/C20H19NO2/c22-14-20(23-12-15-6-2-1-3-7-15)13-21-18-11-10-16-8-4-5-9-17(16)19(18)20/h1-11,21-22H,12-14H2
InChIKeyDLZHKULGQHRALM-UHFFFAOYSA-N
XLogP3.67
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.38
LogP ≤ 53.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2-phenylmethoxynaphthalen-1-yl)ethanamine
CID 60905443
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CID 67710722
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CID 139666551
[1-(2-methoxynaphthalen-1-yl)cyclobutyl]methanamine
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(1-phenylmethoxynaphthalen-2-yl)boronic acid
CID 10755032
2-(3-phenylmethoxyoxetan-3-yl)ethanol
CID 130202999
3-methyl-3-(phenylmethoxymethoxy)azetidine
CID 106938741
(1-hydroxy-2-methylpropan-2-yl)-[(2-phenylmethoxynaphthalen-1-yl)methyl]azanium chloride
CID 44665847
5-phenylmethoxy-2,3-dihydro-1H-pyrrole
CID 141242168
N-[(2-phenylmethoxynaphthalen-1-yl)methylidene]hydroxylamine
CID 807879
[2-[(4-fluorophenyl)methoxy]naphthalen-1-yl]methanol
CID 964391
8-methyl-1-phenylmethoxy-2-prop-1-en-2-ylnaphthalene
CID 14986463

Frequently Asked Questions

What is the IUPAC name of (1-phenylmethoxy-2,3-dihydrobenzo[e]indol-1-yl)methanol?
The IUPAC name of (1-phenylmethoxy-2,3-dihydrobenzo[e]indol-1-yl)methanol (CID 67590586) is (1-phenylmethoxy-2,3-dihydrobenzo[e]indol-1-yl)methanol.
What is the SMILES notation for (1-phenylmethoxy-2,3-dihydrobenzo[e]indol-1-yl)methanol?
The canonical SMILES for (1-phenylmethoxy-2,3-dihydrobenzo[e]indol-1-yl)methanol is OCC1(OCc2ccccc2)CNc2ccc3ccccc3c21.
What is the InChIKey of (1-phenylmethoxy-2,3-dihydrobenzo[e]indol-1-yl)methanol?
The InChIKey is DLZHKULGQHRALM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19NO2/c22-14-20(23-12-15-6-2-1-3-7-15)13-21-18-11-10-16-8-4-5-9-17(16)19(18)20/h1-11,21-22H,12-14H2.
What are the key properties of (1-phenylmethoxy-2,3-dihydrobenzo[e]indol-1-yl)methanol?
(1-phenylmethoxy-2,3-dihydrobenzo[e]indol-1-yl)methanol has a molecular weight of 305.38 g/mol, XLogP of 3.67, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1-phenylmethoxy-2,3-dihydrobenzo[e]indol-1-yl)methanol is sourced from PubChem (CID 67590586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).