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

C17H13BrO — CID 94601935

IUPAC(S)-(2-bromophenyl)-naphthalen-1-ylmethanol
SMILESO[C@H](c1ccccc1Br)c1cccc2ccccc12
InChIInChI=1S/C17H13BrO/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
InChIKeySGTCVWRCSZRIQN-KRWDZBQOSA-N
MW313.19 g/mol
LogP4.68
Rot. Bonds2

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

(S)-(2-bromophenyl)-naphthalen-1-ylmethanol (PubChem CID 94601935) has the molecular formula C17H13BrO and a molecular weight of 313.19 g/mol. Its IUPAC name is (S)-(2-bromophenyl)-naphthalen-1-ylmethanol.

Molecular Properties

Compound Name(S)-(2-bromophenyl)-naphthalen-1-ylmethanol
PubChem CID94601935
Molecular FormulaC17H13BrO
Molecular Weight313.19 g/mol
Exact Mass312.01
IUPAC Name(S)-(2-bromophenyl)-naphthalen-1-ylmethanol
SMILESO[C@H](c1ccccc1Br)c1cccc2ccccc12
InChIInChI=1S/C17H13BrO/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
InChIKeySGTCVWRCSZRIQN-KRWDZBQOSA-N
XLogP4.68
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.19
LogP ≤ 54.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(S)-(2-chlorophenyl)-naphthalen-1-ylmethanol
CID 92533915
(1S,2S)-1,2-dinaphthalen-1-ylethane-1,2-diol
CID 10470897
(4-bromo-2-methoxyphenyl)-naphthalen-1-ylmethanol
CID 115369767
(5-bromo-2-fluorophenyl)-naphthalen-1-ylmethanol
CID 63894699
(3-bromo-4-methylphenyl)-naphthalen-1-ylmethanol
CID 81476478
(3-bromo-5-methylthiophen-2-yl)-naphthalen-1-ylmethanol
CID 65278588
(3-amino-2-methylphenyl)-naphthalen-1-ylmethanol
CID 91678603
(S)-(3-amino-2-methylphenyl)-naphthalen-1-ylmethanol
CID 100804210
(3-bromo-2-fluorophenyl)-isoquinolin-4-ylmethanol
CID 106644574
(3-bromo-2-chlorophenyl)-isoquinolin-4-ylmethanol
CID 115797945
(2-bromophenyl)-(2-ethylphenyl)methanol
CID 91657587
1-naphthalen-1-ylprop-2-yn-1-ol
CID 12661155

Frequently Asked Questions

What is the IUPAC name of (S)-(2-bromophenyl)-naphthalen-1-ylmethanol?
The IUPAC name of (S)-(2-bromophenyl)-naphthalen-1-ylmethanol (CID 94601935) is (S)-(2-bromophenyl)-naphthalen-1-ylmethanol.
What is the SMILES notation for (S)-(2-bromophenyl)-naphthalen-1-ylmethanol?
The canonical SMILES for (S)-(2-bromophenyl)-naphthalen-1-ylmethanol is O[C@H](c1ccccc1Br)c1cccc2ccccc12.
What is the InChIKey of (S)-(2-bromophenyl)-naphthalen-1-ylmethanol?
The InChIKey is SGTCVWRCSZRIQN-KRWDZBQOSA-N. The full InChI is InChI=1S/C17H13BrO/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-bromophenyl)-naphthalen-1-ylmethanol?
(S)-(2-bromophenyl)-naphthalen-1-ylmethanol has a molecular weight of 313.19 g/mol, XLogP of 4.68, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (S)-(2-bromophenyl)-naphthalen-1-ylmethanol is sourced from PubChem (CID 94601935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).