(S)-(4-bromophenyl)-(2-methylnaphthalen-1-yl)methanol

C18H15BrO — CID 99714820

IUPAC(S)-(4-bromophenyl)-(2-methylnaphthalen-1-yl)methanol
SMILESCc1ccc2ccccc2c1[C@@H](O)c1ccc(Br)cc1
InChIInChI=1S/C18H15BrO/c1-12-6-7-13-4-2-3-5-16(13)17(12)18(20)14-8-10-15(19)11-9-14/h2-11,18,20H,1H3/t18-/m0/s1
InChIKeyHDSJCKLGGBXKGR-SFHVURJKSA-N
MW327.22 g/mol
LogP4.99
Rot. Bonds2

About (S)-(4-bromophenyl)-(2-methylnaphthalen-1-yl)methanol

(S)-(4-bromophenyl)-(2-methylnaphthalen-1-yl)methanol (PubChem CID 99714820) has the molecular formula C18H15BrO and a molecular weight of 327.22 g/mol. Its IUPAC name is (S)-(4-bromophenyl)-(2-methylnaphthalen-1-yl)methanol.

Molecular Properties

Compound Name(S)-(4-bromophenyl)-(2-methylnaphthalen-1-yl)methanol
PubChem CID99714820
Molecular FormulaC18H15BrO
Molecular Weight327.22 g/mol
Exact Mass326.03
IUPAC Name(S)-(4-bromophenyl)-(2-methylnaphthalen-1-yl)methanol
SMILESCc1ccc2ccccc2c1[C@@H](O)c1ccc(Br)cc1
InChIInChI=1S/C18H15BrO/c1-12-6-7-13-4-2-3-5-16(13)17(12)18(20)14-8-10-15(19)11-9-14/h2-11,18,20H,1H3/t18-/m0/s1
InChIKeyHDSJCKLGGBXKGR-SFHVURJKSA-N
XLogP4.99
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.22
LogP ≤ 54.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

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(R)-furan-3-yl-(2-methylnaphthalen-1-yl)methanol
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2-(4-bromophenyl)-1-(2-methylnaphthalen-1-yl)ethanamine
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1-(2-methylnaphthalen-1-yl)propan-1-ol
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(2-methylnaphthalen-1-yl)-(1-methylpyrrol-2-yl)methanol
CID 91655781
2,3-dimethyl-1-(2-methylnaphthalen-1-yl)butan-1-ol
CID 81432516
(1R)-2,2,2-trifluoro-1-(2-methylnaphthalen-1-yl)ethanol
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1-[(R)-amino-(4-bromophenyl)methyl]naphthalen-2-ol
CID 39345448
ethane;2-methyl-1-propan-2-ylnaphthalene
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(4-bromophenyl)-(2-methylnaphthalen-1-yl)methanone
CID 81430357

Frequently Asked Questions

What is the IUPAC name of (S)-(4-bromophenyl)-(2-methylnaphthalen-1-yl)methanol?
The IUPAC name of (S)-(4-bromophenyl)-(2-methylnaphthalen-1-yl)methanol (CID 99714820) is (S)-(4-bromophenyl)-(2-methylnaphthalen-1-yl)methanol.
What is the SMILES notation for (S)-(4-bromophenyl)-(2-methylnaphthalen-1-yl)methanol?
The canonical SMILES for (S)-(4-bromophenyl)-(2-methylnaphthalen-1-yl)methanol is Cc1ccc2ccccc2c1[C@@H](O)c1ccc(Br)cc1.
What is the InChIKey of (S)-(4-bromophenyl)-(2-methylnaphthalen-1-yl)methanol?
The InChIKey is HDSJCKLGGBXKGR-SFHVURJKSA-N. The full InChI is InChI=1S/C18H15BrO/c1-12-6-7-13-4-2-3-5-16(13)17(12)18(20)14-8-10-15(19)11-9-14/h2-11,18,20H,1H3/t18-/m0/s1.
What are the key properties of (S)-(4-bromophenyl)-(2-methylnaphthalen-1-yl)methanol?
(S)-(4-bromophenyl)-(2-methylnaphthalen-1-yl)methanol has a molecular weight of 327.22 g/mol, XLogP of 4.99, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (S)-(4-bromophenyl)-(2-methylnaphthalen-1-yl)methanol is sourced from PubChem (CID 99714820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).