(S)-(3-chlorophenyl)-naphthalen-1-ylmethanol

C17H13ClO — CID 94549161

IUPAC(S)-(3-chlorophenyl)-naphthalen-1-ylmethanol
SMILESO[C@@H](c1cccc(Cl)c1)c1cccc2ccccc12
InChIInChI=1S/C17H13ClO/c18-14-8-3-7-13(11-14)17(19)16-10-4-6-12-5-1-2-9-15(12)16/h1-11,17,19H/t17-/m0/s1
InChIKeyNMHVYDWYAABLRU-KRWDZBQOSA-N
MW268.74 g/mol
LogP4.57
Rot. Bonds2

About (S)-(3-chlorophenyl)-naphthalen-1-ylmethanol

(S)-(3-chlorophenyl)-naphthalen-1-ylmethanol (PubChem CID 94549161) has the molecular formula C17H13ClO and a molecular weight of 268.74 g/mol. Its IUPAC name is (S)-(3-chlorophenyl)-naphthalen-1-ylmethanol.

Molecular Properties

Compound Name(S)-(3-chlorophenyl)-naphthalen-1-ylmethanol
PubChem CID94549161
Molecular FormulaC17H13ClO
Molecular Weight268.74 g/mol
Exact Mass268.07
IUPAC Name(S)-(3-chlorophenyl)-naphthalen-1-ylmethanol
SMILESO[C@@H](c1cccc(Cl)c1)c1cccc2ccccc12
InChIInChI=1S/C17H13ClO/c18-14-8-3-7-13(11-14)17(19)16-10-4-6-12-5-1-2-9-15(12)16/h1-11,17,19H/t17-/m0/s1
InChIKeyNMHVYDWYAABLRU-KRWDZBQOSA-N
XLogP4.57
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.74
LogP ≤ 54.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(S)-(4-chlorophenyl)-naphthalen-1-ylmethanol
CID 93489560
3-[(R)-hydroxy(naphthalen-1-yl)methyl]benzonitrile
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(S)-(2-chlorophenyl)-naphthalen-1-ylmethanol
CID 92533915
(1R)-1-(3-chlorophenyl)-N-[(1R)-1-naphthalen-1-ylethyl]ethanamine
CID 54381200
(3-chlorophenyl)-(1,2-dihydroacenaphthylen-5-yl)methanol
CID 91678718
(S)-(3-amino-4-methylphenyl)-naphthalen-1-ylmethanol
CID 100804217
(3-bromo-4-methylphenyl)-naphthalen-1-ylmethanol
CID 81476478
(1S,2S)-1,2-dinaphthalen-1-ylethane-1,2-diol
CID 10470897
(3,5-dichlorophenyl)-isoquinolin-8-ylmethanol
CID 103139219
(3-chlorophenyl)-(3-phenylphenyl)methanol
CID 171366588
furan-3-yl(naphthalen-1-yl)methanol
CID 63894958
(3-chlorophenyl)-(2-methyl-3-pyridinyl)methanol
CID 105081367

Frequently Asked Questions

What is the IUPAC name of (S)-(3-chlorophenyl)-naphthalen-1-ylmethanol?
The IUPAC name of (S)-(3-chlorophenyl)-naphthalen-1-ylmethanol (CID 94549161) is (S)-(3-chlorophenyl)-naphthalen-1-ylmethanol.
What is the SMILES notation for (S)-(3-chlorophenyl)-naphthalen-1-ylmethanol?
The canonical SMILES for (S)-(3-chlorophenyl)-naphthalen-1-ylmethanol is O[C@@H](c1cccc(Cl)c1)c1cccc2ccccc12.
What is the InChIKey of (S)-(3-chlorophenyl)-naphthalen-1-ylmethanol?
The InChIKey is NMHVYDWYAABLRU-KRWDZBQOSA-N. The full InChI is InChI=1S/C17H13ClO/c18-14-8-3-7-13(11-14)17(19)16-10-4-6-12-5-1-2-9-15(12)16/h1-11,17,19H/t17-/m0/s1.
What are the key properties of (S)-(3-chlorophenyl)-naphthalen-1-ylmethanol?
(S)-(3-chlorophenyl)-naphthalen-1-ylmethanol has a molecular weight of 268.74 g/mol, XLogP of 4.57, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (S)-(3-chlorophenyl)-naphthalen-1-ylmethanol is sourced from PubChem (CID 94549161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).