(1S)-1-(4-methylphenyl)-1-naphthalen-2-ylethanol

C19H18O — CID 130231644

IUPAC(1S)-1-(4-methylphenyl)-1-naphthalen-2-ylethanol
SMILESCc1ccc([C@](C)(O)c2ccc3ccccc3c2)cc1
InChIInChI=1S/C19H18O/c1-14-7-10-17(11-8-14)19(2,20)18-12-9-15-5-3-4-6-16(15)13-18/h3-13,20H,1-2H3/t19-/m0/s1
InChIKeyJDBBHBJJSQGRFL-IBGZPJMESA-N
MW262.35 g/mol
LogP4.40
Rot. Bonds2

About (1S)-1-(4-methylphenyl)-1-naphthalen-2-ylethanol

(1S)-1-(4-methylphenyl)-1-naphthalen-2-ylethanol (PubChem CID 130231644) has the molecular formula C19H18O and a molecular weight of 262.35 g/mol. Its IUPAC name is (1S)-1-(4-methylphenyl)-1-naphthalen-2-ylethanol.

Molecular Properties

Compound Name(1S)-1-(4-methylphenyl)-1-naphthalen-2-ylethanol
PubChem CID130231644
Molecular FormulaC19H18O
Molecular Weight262.35 g/mol
Exact Mass262.14
IUPAC Name(1S)-1-(4-methylphenyl)-1-naphthalen-2-ylethanol
SMILESCc1ccc([C@](C)(O)c2ccc3ccccc3c2)cc1
InChIInChI=1S/C19H18O/c1-14-7-10-17(11-8-14)19(2,20)18-12-9-15-5-3-4-6-16(15)13-18/h3-13,20H,1-2H3/t19-/m0/s1
InChIKeyJDBBHBJJSQGRFL-IBGZPJMESA-N
XLogP4.40
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.35
LogP ≤ 54.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (1S)-1-(4-methylphenyl)-1-naphthalen-2-ylethanol?
The IUPAC name of (1S)-1-(4-methylphenyl)-1-naphthalen-2-ylethanol (CID 130231644) is (1S)-1-(4-methylphenyl)-1-naphthalen-2-ylethanol.
What is the SMILES notation for (1S)-1-(4-methylphenyl)-1-naphthalen-2-ylethanol?
The canonical SMILES for (1S)-1-(4-methylphenyl)-1-naphthalen-2-ylethanol is Cc1ccc([C@](C)(O)c2ccc3ccccc3c2)cc1.
What is the InChIKey of (1S)-1-(4-methylphenyl)-1-naphthalen-2-ylethanol?
The InChIKey is JDBBHBJJSQGRFL-IBGZPJMESA-N. The full InChI is InChI=1S/C19H18O/c1-14-7-10-17(11-8-14)19(2,20)18-12-9-15-5-3-4-6-16(15)13-18/h3-13,20H,1-2H3/t19-/m0/s1.
What are the key properties of (1S)-1-(4-methylphenyl)-1-naphthalen-2-ylethanol?
(1S)-1-(4-methylphenyl)-1-naphthalen-2-ylethanol has a molecular weight of 262.35 g/mol, XLogP of 4.40, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-(4-methylphenyl)-1-naphthalen-2-ylethanol is sourced from PubChem (CID 130231644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).