5-chloro-7-phenylmethoxy-2,3-dihydro-1H-indole

C15H14ClNO — CID 14849556

IUPAC5-chloro-7-phenylmethoxy-2,3-dihydro-1H-indole
SMILESClc1cc2c(c(OCc3ccccc3)c1)NCC2
InChIInChI=1S/C15H14ClNO/c16-13-8-12-6-7-17-15(12)14(9-13)18-10-11-4-2-1-3-5-11/h1-5,8-9,17H,6-7,10H2
InChIKeyZIKYJBYTFWWSKK-UHFFFAOYSA-N
MW259.74 g/mol
LogP3.89
Rot. Bonds3

About 5-chloro-7-phenylmethoxy-2,3-dihydro-1H-indole

5-chloro-7-phenylmethoxy-2,3-dihydro-1H-indole (PubChem CID 14849556) has the molecular formula C15H14ClNO and a molecular weight of 259.74 g/mol. Its IUPAC name is 5-chloro-7-phenylmethoxy-2,3-dihydro-1H-indole.

Molecular Properties

Compound Name5-chloro-7-phenylmethoxy-2,3-dihydro-1H-indole
PubChem CID14849556
Molecular FormulaC15H14ClNO
Molecular Weight259.74 g/mol
Exact Mass259.08
IUPAC Name5-chloro-7-phenylmethoxy-2,3-dihydro-1H-indole
SMILESClc1cc2c(c(OCc3ccccc3)c1)NCC2
InChIInChI=1S/C15H14ClNO/c16-13-8-12-6-7-17-15(12)14(9-13)18-10-11-4-2-1-3-5-11/h1-5,8-9,17H,6-7,10H2
InChIKeyZIKYJBYTFWWSKK-UHFFFAOYSA-N
XLogP3.89
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.74
LogP ≤ 53.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

6-phenylmethoxy-2,3-dihydro-1H-indole
CID 18932839
6-[(2-chlorophenoxy)methyl]-2,3-dihydro-1H-indole
CID 115103937
6-chloro-4-phenylmethoxy-1H-indole
CID 170993763
5-chloro-3-phenylmethoxy-1H-pyridin-2-one
CID 70036977
2-(bromomethyl)-1,5-dichloro-3-phenylmethoxybenzene
CID 14225535
3-(5-chloro-2-phenylmethoxyphenoxy)azetidine
CID 58405156
4-fluoro-5-phenylmethoxy-2,3-dihydro-1H-indole
CID 133056207
5-chloro-2-iodo-1-phenylmethoxy-3-(trifluoromethoxy)benzene
CID 170171554
2,3,6,7,10,11-hexakis(phenylmethoxy)triphenylene
CID 11040205
5-[(2-methylphenoxy)methyl]-2,3-dihydro-1H-indole
CID 115103966
3-(2,4-dichloro-6-phenylmethoxyphenyl)propanal
CID 14225536
1,5-dichloro-3-(cyclopropylidenemethyl)-2-phenylmethoxybenzene
CID 102467504

Frequently Asked Questions

What is the IUPAC name of 5-chloro-7-phenylmethoxy-2,3-dihydro-1H-indole?
The IUPAC name of 5-chloro-7-phenylmethoxy-2,3-dihydro-1H-indole (CID 14849556) is 5-chloro-7-phenylmethoxy-2,3-dihydro-1H-indole.
What is the SMILES notation for 5-chloro-7-phenylmethoxy-2,3-dihydro-1H-indole?
The canonical SMILES for 5-chloro-7-phenylmethoxy-2,3-dihydro-1H-indole is Clc1cc2c(c(OCc3ccccc3)c1)NCC2.
What is the InChIKey of 5-chloro-7-phenylmethoxy-2,3-dihydro-1H-indole?
The InChIKey is ZIKYJBYTFWWSKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14ClNO/c16-13-8-12-6-7-17-15(12)14(9-13)18-10-11-4-2-1-3-5-11/h1-5,8-9,17H,6-7,10H2.
What are the key properties of 5-chloro-7-phenylmethoxy-2,3-dihydro-1H-indole?
5-chloro-7-phenylmethoxy-2,3-dihydro-1H-indole has a molecular weight of 259.74 g/mol, XLogP of 3.89, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-7-phenylmethoxy-2,3-dihydro-1H-indole is sourced from PubChem (CID 14849556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).