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

C18H16O — CID 92975161

IUPAC(S)-(4-methylphenyl)-naphthalen-1-ylmethanol
SMILESCc1ccc([C@H](O)c2cccc3ccccc23)cc1
InChIInChI=1S/C18H16O/c1-13-9-11-15(12-10-13)18(19)17-8-4-6-14-5-2-3-7-16(14)17/h2-12,18-19H,1H3/t18-/m0/s1
InChIKeyLORGQLQYAZLTMF-SFHVURJKSA-N
MW248.33 g/mol
LogP4.23
Rot. Bonds2

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

(S)-(4-methylphenyl)-naphthalen-1-ylmethanol (PubChem CID 92975161) has the molecular formula C18H16O and a molecular weight of 248.33 g/mol. Its IUPAC name is (S)-(4-methylphenyl)-naphthalen-1-ylmethanol.

Molecular Properties

Compound Name(S)-(4-methylphenyl)-naphthalen-1-ylmethanol
PubChem CID92975161
Molecular FormulaC18H16O
Molecular Weight248.33 g/mol
Exact Mass248.12
IUPAC Name(S)-(4-methylphenyl)-naphthalen-1-ylmethanol
SMILESCc1ccc([C@H](O)c2cccc3ccccc23)cc1
InChIInChI=1S/C18H16O/c1-13-9-11-15(12-10-13)18(19)17-8-4-6-14-5-2-3-7-16(14)17/h2-12,18-19H,1H3/t18-/m0/s1
InChIKeyLORGQLQYAZLTMF-SFHVURJKSA-N
XLogP4.23
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.33
LogP ≤ 54.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (S)-(4-methylphenyl)-naphthalen-1-ylmethanol?
The IUPAC name of (S)-(4-methylphenyl)-naphthalen-1-ylmethanol (CID 92975161) is (S)-(4-methylphenyl)-naphthalen-1-ylmethanol.
What is the SMILES notation for (S)-(4-methylphenyl)-naphthalen-1-ylmethanol?
The canonical SMILES for (S)-(4-methylphenyl)-naphthalen-1-ylmethanol is Cc1ccc([C@H](O)c2cccc3ccccc23)cc1.
What is the InChIKey of (S)-(4-methylphenyl)-naphthalen-1-ylmethanol?
The InChIKey is LORGQLQYAZLTMF-SFHVURJKSA-N. The full InChI is InChI=1S/C18H16O/c1-13-9-11-15(12-10-13)18(19)17-8-4-6-14-5-2-3-7-16(14)17/h2-12,18-19H,1H3/t18-/m0/s1.
What are the key properties of (S)-(4-methylphenyl)-naphthalen-1-ylmethanol?
(S)-(4-methylphenyl)-naphthalen-1-ylmethanol has a molecular weight of 248.33 g/mol, XLogP of 4.23, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (S)-(4-methylphenyl)-naphthalen-1-ylmethanol is sourced from PubChem (CID 92975161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).