(3-chloro-4-methoxyphenyl)-(2,3-dihydro-1H-isoindol-1-yl)methanol

C16H16ClNO2 — CID 65041826

IUPAC(3-chloro-4-methoxyphenyl)-(2,3-dihydro-1H-isoindol-1-yl)methanol
SMILESCOc1ccc(C(O)C2NCc3ccccc32)cc1Cl
InChIInChI=1S/C16H16ClNO2/c1-20-14-7-6-10(8-13(14)17)16(19)15-12-5-3-2-4-11(12)9-18-15/h2-8,15-16,18-19H,9H2,1H3
InChIKeyFHTYCXRPLIFGTF-UHFFFAOYSA-N
MW289.76 g/mol
LogP3.23
Rot. Bonds3

About (3-chloro-4-methoxyphenyl)-(2,3-dihydro-1H-isoindol-1-yl)methanol

(3-chloro-4-methoxyphenyl)-(2,3-dihydro-1H-isoindol-1-yl)methanol (PubChem CID 65041826) has the molecular formula C16H16ClNO2 and a molecular weight of 289.76 g/mol. Its IUPAC name is (3-chloro-4-methoxyphenyl)-(2,3-dihydro-1H-isoindol-1-yl)methanol.

Molecular Properties

Compound Name(3-chloro-4-methoxyphenyl)-(2,3-dihydro-1H-isoindol-1-yl)methanol
PubChem CID65041826
Molecular FormulaC16H16ClNO2
Molecular Weight289.76 g/mol
Exact Mass289.09
IUPAC Name(3-chloro-4-methoxyphenyl)-(2,3-dihydro-1H-isoindol-1-yl)methanol
SMILESCOc1ccc(C(O)C2NCc3ccccc32)cc1Cl
InChIInChI=1S/C16H16ClNO2/c1-20-14-7-6-10(8-13(14)17)16(19)15-12-5-3-2-4-11(12)9-18-15/h2-8,15-16,18-19H,9H2,1H3
InChIKeyFHTYCXRPLIFGTF-UHFFFAOYSA-N
XLogP3.23
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.76
LogP ≤ 53.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(3-chloro-4-methoxyphenyl)-cycloheptylmethanol
CID 62590019
(3-chloro-4-methoxyphenyl)-(4-methylpiperidin-2-yl)methanol
CID 65026762
2,3-dihydro-1H-isoindol-1-yl(quinolin-6-yl)methanol
CID 65041727
(1R)-1-propan-2-yl-2,3-dihydro-1H-isoindole
CID 158376445
1-(2,3-dihydro-1H-isoindol-1-yl)-2-phenylpropan-1-ol
CID 65041588
N-[7-bicyclo[4.2.0]octa-1,3,5-trienyl-(3-chloro-4-methoxyphenyl)methyl]ethanamine
CID 66394948
2,3-dihydro-1H-isoindol-1-yl-(5-methyl-2-pyridinyl)methanol
CID 81319309
(3-chloro-4-methoxyphenyl)-(3-methylcyclohexyl)methanol
CID 65026372
2-[(3-chloro-4-methoxyphenyl)-hydroxymethyl]-4-methylcyclopentane-1-carboxylic acid
CID 114392547
(3-chloro-4-methoxyphenyl)-(4-fluorophenyl)methanol
CID 61100698
(3-chloro-4-methoxyphenyl)-naphthalen-2-ylmethanol
CID 61099330
2,3-dihydro-1H-isoindol-1-yl-(4-fluoro-2-methylphenyl)methanol
CID 65041820

Frequently Asked Questions

What is the IUPAC name of (3-chloro-4-methoxyphenyl)-(2,3-dihydro-1H-isoindol-1-yl)methanol?
The IUPAC name of (3-chloro-4-methoxyphenyl)-(2,3-dihydro-1H-isoindol-1-yl)methanol (CID 65041826) is (3-chloro-4-methoxyphenyl)-(2,3-dihydro-1H-isoindol-1-yl)methanol.
What is the SMILES notation for (3-chloro-4-methoxyphenyl)-(2,3-dihydro-1H-isoindol-1-yl)methanol?
The canonical SMILES for (3-chloro-4-methoxyphenyl)-(2,3-dihydro-1H-isoindol-1-yl)methanol is COc1ccc(C(O)C2NCc3ccccc32)cc1Cl.
What is the InChIKey of (3-chloro-4-methoxyphenyl)-(2,3-dihydro-1H-isoindol-1-yl)methanol?
The InChIKey is FHTYCXRPLIFGTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16ClNO2/c1-20-14-7-6-10(8-13(14)17)16(19)15-12-5-3-2-4-11(12)9-18-15/h2-8,15-16,18-19H,9H2,1H3.
What are the key properties of (3-chloro-4-methoxyphenyl)-(2,3-dihydro-1H-isoindol-1-yl)methanol?
(3-chloro-4-methoxyphenyl)-(2,3-dihydro-1H-isoindol-1-yl)methanol has a molecular weight of 289.76 g/mol, XLogP of 3.23, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-chloro-4-methoxyphenyl)-(2,3-dihydro-1H-isoindol-1-yl)methanol is sourced from PubChem (CID 65041826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).