(1S,2R)-2-(3-chlorophenyl)-1,2-dihydronaphthalen-1-ol

C16H13ClO — CID 11807312

IUPAC(1S,2R)-2-(3-chlorophenyl)-1,2-dihydronaphthalen-1-ol
SMILESO[C@@H]1c2ccccc2C=C[C@@H]1c1cccc(Cl)c1
InChIInChI=1S/C16H13ClO/c17-13-6-3-5-12(10-13)15-9-8-11-4-1-2-7-14(11)16(15)18/h1-10,15-16,18H/t15-,16-/m1/s1
InChIKeyXRTCZQFTKCCIFA-HZPDHXFCSA-N
MW256.73 g/mol
LogP4.18
Rot. Bonds1

About (1S,2R)-2-(3-chlorophenyl)-1,2-dihydronaphthalen-1-ol

(1S,2R)-2-(3-chlorophenyl)-1,2-dihydronaphthalen-1-ol (PubChem CID 11807312) has the molecular formula C16H13ClO and a molecular weight of 256.73 g/mol. Its IUPAC name is (1S,2R)-2-(3-chlorophenyl)-1,2-dihydronaphthalen-1-ol.

Molecular Properties

Compound Name(1S,2R)-2-(3-chlorophenyl)-1,2-dihydronaphthalen-1-ol
PubChem CID11807312
Molecular FormulaC16H13ClO
Molecular Weight256.73 g/mol
Exact Mass256.07
IUPAC Name(1S,2R)-2-(3-chlorophenyl)-1,2-dihydronaphthalen-1-ol
SMILESO[C@@H]1c2ccccc2C=C[C@@H]1c1cccc(Cl)c1
InChIInChI=1S/C16H13ClO/c17-13-6-3-5-12(10-13)15-9-8-11-4-1-2-7-14(11)16(15)18/h1-10,15-16,18H/t15-,16-/m1/s1
InChIKeyXRTCZQFTKCCIFA-HZPDHXFCSA-N
XLogP4.18
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.73
LogP ≤ 54.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (1S,2R)-2-(3-chlorophenyl)-1,2-dihydronaphthalen-1-ol?
The IUPAC name of (1S,2R)-2-(3-chlorophenyl)-1,2-dihydronaphthalen-1-ol (CID 11807312) is (1S,2R)-2-(3-chlorophenyl)-1,2-dihydronaphthalen-1-ol.
What is the SMILES notation for (1S,2R)-2-(3-chlorophenyl)-1,2-dihydronaphthalen-1-ol?
The canonical SMILES for (1S,2R)-2-(3-chlorophenyl)-1,2-dihydronaphthalen-1-ol is O[C@@H]1c2ccccc2C=C[C@@H]1c1cccc(Cl)c1.
What is the InChIKey of (1S,2R)-2-(3-chlorophenyl)-1,2-dihydronaphthalen-1-ol?
The InChIKey is XRTCZQFTKCCIFA-HZPDHXFCSA-N. The full InChI is InChI=1S/C16H13ClO/c17-13-6-3-5-12(10-13)15-9-8-11-4-1-2-7-14(11)16(15)18/h1-10,15-16,18H/t15-,16-/m1/s1.
What are the key properties of (1S,2R)-2-(3-chlorophenyl)-1,2-dihydronaphthalen-1-ol?
(1S,2R)-2-(3-chlorophenyl)-1,2-dihydronaphthalen-1-ol has a molecular weight of 256.73 g/mol, XLogP of 4.18, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,2R)-2-(3-chlorophenyl)-1,2-dihydronaphthalen-1-ol is sourced from PubChem (CID 11807312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).