(S)-(4-chlorophenyl)-naphthalen-1-ylmethanol

C17H13ClO — CID 93489560

IUPAC(S)-(4-chlorophenyl)-naphthalen-1-ylmethanol
SMILESO[C@@H](c1ccc(Cl)cc1)c1cccc2ccccc12
InChIInChI=1S/C17H13ClO/c18-14-10-8-13(9-11-14)17(19)16-7-3-5-12-4-1-2-6-15(12)16/h1-11,17,19H/t17-/m0/s1
InChIKeyRLMXIAWKRBIMQA-KRWDZBQOSA-N
MW268.74 g/mol
LogP4.57
Rot. Bonds2

About (S)-(4-chlorophenyl)-naphthalen-1-ylmethanol

(S)-(4-chlorophenyl)-naphthalen-1-ylmethanol (PubChem CID 93489560) has the molecular formula C17H13ClO and a molecular weight of 268.74 g/mol. Its IUPAC name is (S)-(4-chlorophenyl)-naphthalen-1-ylmethanol.

Molecular Properties

Compound Name(S)-(4-chlorophenyl)-naphthalen-1-ylmethanol
PubChem CID93489560
Molecular FormulaC17H13ClO
Molecular Weight268.74 g/mol
Exact Mass268.07
IUPAC Name(S)-(4-chlorophenyl)-naphthalen-1-ylmethanol
SMILESO[C@@H](c1ccc(Cl)cc1)c1cccc2ccccc12
InChIInChI=1S/C17H13ClO/c18-14-10-8-13(9-11-14)17(19)16-7-3-5-12-4-1-2-6-15(12)16/h1-11,17,19H/t17-/m0/s1
InChIKeyRLMXIAWKRBIMQA-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)-(3-chlorophenyl)-naphthalen-1-ylmethanol
CID 94549161
(4-chlorophenyl)-isoquinolin-8-ylmethanol
CID 103139329
(S)-(2-chlorophenyl)-naphthalen-1-ylmethanol
CID 92533915
1-(4-chlorophenyl)-2-(1-naphthalen-1-ylethylamino)ethanol
CID 42942251
(3-fluoro-4-methoxyphenyl)-naphthalen-1-ylmethanol
CID 61080907
methyl 4-[hydroxy(naphthalen-1-yl)methyl]benzoate
CID 46217309
(1S,2S)-1,2-dinaphthalen-1-ylethane-1,2-diol
CID 10470897
furan-3-yl(naphthalen-1-yl)methanol
CID 63894958
(4-chlorophenyl)-(2-methylquinolin-4-yl)methanol
CID 79234879
(S)-(3-amino-4-methylphenyl)-naphthalen-1-ylmethanol
CID 100804217
(3-bromo-4-methylphenyl)-naphthalen-1-ylmethanol
CID 81476478
(S)-(2-bromophenyl)-naphthalen-1-ylmethanol
CID 94601935

Frequently Asked Questions

What is the IUPAC name of (S)-(4-chlorophenyl)-naphthalen-1-ylmethanol?
The IUPAC name of (S)-(4-chlorophenyl)-naphthalen-1-ylmethanol (CID 93489560) is (S)-(4-chlorophenyl)-naphthalen-1-ylmethanol.
What is the SMILES notation for (S)-(4-chlorophenyl)-naphthalen-1-ylmethanol?
The canonical SMILES for (S)-(4-chlorophenyl)-naphthalen-1-ylmethanol is O[C@@H](c1ccc(Cl)cc1)c1cccc2ccccc12.
What is the InChIKey of (S)-(4-chlorophenyl)-naphthalen-1-ylmethanol?
The InChIKey is RLMXIAWKRBIMQA-KRWDZBQOSA-N. The full InChI is InChI=1S/C17H13ClO/c18-14-10-8-13(9-11-14)17(19)16-7-3-5-12-4-1-2-6-15(12)16/h1-11,17,19H/t17-/m0/s1.
What are the key properties of (S)-(4-chlorophenyl)-naphthalen-1-ylmethanol?
(S)-(4-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)-(4-chlorophenyl)-naphthalen-1-ylmethanol is sourced from PubChem (CID 93489560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).