(S)-(2-chlorophenyl)-naphthalen-1-ylmethanol

C17H13ClO — CID 92533915

IUPAC(S)-(2-chlorophenyl)-naphthalen-1-ylmethanol
SMILESO[C@H](c1ccccc1Cl)c1cccc2ccccc12
InChIInChI=1S/C17H13ClO/c18-16-11-4-3-9-15(16)17(19)14-10-5-7-12-6-1-2-8-13(12)14/h1-11,17,19H/t17-/m0/s1
InChIKeyQAXUTJPIKLANIJ-KRWDZBQOSA-N
MW268.74 g/mol
LogP4.57
Rot. Bonds2

About (S)-(2-chlorophenyl)-naphthalen-1-ylmethanol

(S)-(2-chlorophenyl)-naphthalen-1-ylmethanol (PubChem CID 92533915) has the molecular formula C17H13ClO and a molecular weight of 268.74 g/mol. Its IUPAC name is (S)-(2-chlorophenyl)-naphthalen-1-ylmethanol.

Molecular Properties

Compound Name(S)-(2-chlorophenyl)-naphthalen-1-ylmethanol
PubChem CID92533915
Molecular FormulaC17H13ClO
Molecular Weight268.74 g/mol
Exact Mass268.07
IUPAC Name(S)-(2-chlorophenyl)-naphthalen-1-ylmethanol
SMILESO[C@H](c1ccccc1Cl)c1cccc2ccccc12
InChIInChI=1S/C17H13ClO/c18-16-11-4-3-9-15(16)17(19)14-10-5-7-12-6-1-2-8-13(12)14/h1-11,17,19H/t17-/m0/s1
InChIKeyQAXUTJPIKLANIJ-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

(2-chlorophenyl)-isoquinolin-5-ylmethanol
CID 62813520
(S)-(4-chlorophenyl)-naphthalen-1-ylmethanol
CID 93489560
(S)-(2-bromophenyl)-naphthalen-1-ylmethanol
CID 94601935
(1S,2S)-1,2-dinaphthalen-1-ylethane-1,2-diol
CID 10470897
(S)-(3-chlorophenyl)-naphthalen-1-ylmethanol
CID 94549161
(R)-(2-chlorophenyl)-(1,2-dihydroacenaphthylen-5-yl)methanol
CID 99707210
(2,4-difluorophenyl)-naphthalen-1-ylmethanol
CID 61087726
(3-amino-2-methylphenyl)-naphthalen-1-ylmethanol
CID 91678603
(S)-(3-amino-2-methylphenyl)-naphthalen-1-ylmethanol
CID 100804210
2,2-dichloro-1-naphthalen-1-ylethanol
CID 164892097
(1S)-2-chloro-1-naphthalen-1-ylethanol
CID 68839318
(5-fluoro-2-methylphenyl)-naphthalen-1-ylmethanol
CID 62791504

Frequently Asked Questions

What is the IUPAC name of (S)-(2-chlorophenyl)-naphthalen-1-ylmethanol?
The IUPAC name of (S)-(2-chlorophenyl)-naphthalen-1-ylmethanol (CID 92533915) is (S)-(2-chlorophenyl)-naphthalen-1-ylmethanol.
What is the SMILES notation for (S)-(2-chlorophenyl)-naphthalen-1-ylmethanol?
The canonical SMILES for (S)-(2-chlorophenyl)-naphthalen-1-ylmethanol is O[C@H](c1ccccc1Cl)c1cccc2ccccc12.
What is the InChIKey of (S)-(2-chlorophenyl)-naphthalen-1-ylmethanol?
The InChIKey is QAXUTJPIKLANIJ-KRWDZBQOSA-N. The full InChI is InChI=1S/C17H13ClO/c18-16-11-4-3-9-15(16)17(19)14-10-5-7-12-6-1-2-8-13(12)14/h1-11,17,19H/t17-/m0/s1.
What are the key properties of (S)-(2-chlorophenyl)-naphthalen-1-ylmethanol?
(S)-(2-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)-(2-chlorophenyl)-naphthalen-1-ylmethanol is sourced from PubChem (CID 92533915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).