(1R,3R)-3-(4-chlorophenyl)-3,4-dihydro-1H-isochromen-1-ol

C15H13ClO2 — CID 10706498

IUPAC(1R,3R)-3-(4-chlorophenyl)-3,4-dihydro-1H-isochromen-1-ol
SMILESO[C@@H]1O[C@@H](c2ccc(Cl)cc2)Cc2ccccc21
InChIInChI=1S/C15H13ClO2/c16-12-7-5-10(6-8-12)14-9-11-3-1-2-4-13(11)15(17)18-14/h1-8,14-15,17H,9H2/t14-,15-/m1/s1
InChIKeyVYVSWIXUILGPAY-HUUCEWRRSA-N
MW260.72 g/mol
LogP3.64
Rot. Bonds1

About (1R,3R)-3-(4-chlorophenyl)-3,4-dihydro-1H-isochromen-1-ol

(1R,3R)-3-(4-chlorophenyl)-3,4-dihydro-1H-isochromen-1-ol (PubChem CID 10706498) has the molecular formula C15H13ClO2 and a molecular weight of 260.72 g/mol. Its IUPAC name is (1R,3R)-3-(4-chlorophenyl)-3,4-dihydro-1H-isochromen-1-ol.

Molecular Properties

Compound Name(1R,3R)-3-(4-chlorophenyl)-3,4-dihydro-1H-isochromen-1-ol
PubChem CID10706498
Molecular FormulaC15H13ClO2
Molecular Weight260.72 g/mol
Exact Mass260.06
IUPAC Name(1R,3R)-3-(4-chlorophenyl)-3,4-dihydro-1H-isochromen-1-ol
SMILESO[C@@H]1O[C@@H](c2ccc(Cl)cc2)Cc2ccccc21
InChIInChI=1S/C15H13ClO2/c16-12-7-5-10(6-8-12)14-9-11-3-1-2-4-13(11)15(17)18-14/h1-8,14-15,17H,9H2/t14-,15-/m1/s1
InChIKeyVYVSWIXUILGPAY-HUUCEWRRSA-N
XLogP3.64
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.72
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 139054065
(1S,3R)-1,3-dihydro-2-benzofuran-1,3-diol
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Frequently Asked Questions

What is the IUPAC name of (1R,3R)-3-(4-chlorophenyl)-3,4-dihydro-1H-isochromen-1-ol?
The IUPAC name of (1R,3R)-3-(4-chlorophenyl)-3,4-dihydro-1H-isochromen-1-ol (CID 10706498) is (1R,3R)-3-(4-chlorophenyl)-3,4-dihydro-1H-isochromen-1-ol.
What is the SMILES notation for (1R,3R)-3-(4-chlorophenyl)-3,4-dihydro-1H-isochromen-1-ol?
The canonical SMILES for (1R,3R)-3-(4-chlorophenyl)-3,4-dihydro-1H-isochromen-1-ol is O[C@@H]1O[C@@H](c2ccc(Cl)cc2)Cc2ccccc21.
What is the InChIKey of (1R,3R)-3-(4-chlorophenyl)-3,4-dihydro-1H-isochromen-1-ol?
The InChIKey is VYVSWIXUILGPAY-HUUCEWRRSA-N. The full InChI is InChI=1S/C15H13ClO2/c16-12-7-5-10(6-8-12)14-9-11-3-1-2-4-13(11)15(17)18-14/h1-8,14-15,17H,9H2/t14-,15-/m1/s1.
What are the key properties of (1R,3R)-3-(4-chlorophenyl)-3,4-dihydro-1H-isochromen-1-ol?
(1R,3R)-3-(4-chlorophenyl)-3,4-dihydro-1H-isochromen-1-ol has a molecular weight of 260.72 g/mol, XLogP of 3.64, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,3R)-3-(4-chlorophenyl)-3,4-dihydro-1H-isochromen-1-ol is sourced from PubChem (CID 10706498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).