(1S)-1-(4-chloronaphthalen-1-yl)ethanol

C12H11ClO — CID 82758359

IUPAC(1S)-1-(4-chloronaphthalen-1-yl)ethanol
SMILESC[C@H](O)c1ccc(Cl)c2ccccc12
InChIInChI=1S/C12H11ClO/c1-8(14)9-6-7-12(13)11-5-3-2-4-10(9)11/h2-8,14H,1H3/t8-/m0/s1
InChIKeyWKZBMTDUKURYPE-QMMMGPOBSA-N
MW206.67 g/mol
LogP3.55
Rot. Bonds1

About (1S)-1-(4-chloronaphthalen-1-yl)ethanol

(1S)-1-(4-chloronaphthalen-1-yl)ethanol (PubChem CID 82758359) has the molecular formula C12H11ClO and a molecular weight of 206.67 g/mol. Its IUPAC name is (1S)-1-(4-chloronaphthalen-1-yl)ethanol.

Molecular Properties

Compound Name(1S)-1-(4-chloronaphthalen-1-yl)ethanol
PubChem CID82758359
Molecular FormulaC12H11ClO
Molecular Weight206.67 g/mol
Exact Mass206.05
IUPAC Name(1S)-1-(4-chloronaphthalen-1-yl)ethanol
SMILESC[C@H](O)c1ccc(Cl)c2ccccc12
InChIInChI=1S/C12H11ClO/c1-8(14)9-6-7-12(13)11-5-3-2-4-10(9)11/h2-8,14H,1H3/t8-/m0/s1
InChIKeyWKZBMTDUKURYPE-QMMMGPOBSA-N
XLogP3.55
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.67
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(4-chloronaphthalen-1-yl)-(2-methylphenyl)methanol
CID 79597180
1-(4-chloronaphthalen-1-yl)-2,2,2-trifluoroethanol
CID 79597742
(1S)-1-(4-chloronaphthalen-1-yl)-2-(dimethylamino)ethanol
CID 3246100
1-chloro-4-(1-chloro-3-methylbutyl)naphthalene
CID 79596838
1-(4-chloronaphthalen-1-yl)nonan-1-ol
CID 79592377
1-(4-chloronaphthalen-1-yl)-2-methylsulfonylethanol
CID 79597388
(1R)-1-(4-methoxynaphthalen-1-yl)ethanol
CID 82758527
1-(4-chloronaphthalen-1-yl)-2,2,3,3,3-pentafluoropropan-1-ol
CID 79597809
4-(4-chloronaphthalen-1-yl)pentanoic acid
CID 113306220
(4-chloronaphthalen-1-yl)-cyclobutylmethanol
CID 79597390
1-(4-chloronaphthalen-1-yl)-2,2-dimethylpropan-1-amine
CID 79597241
1-(1-bromo-2,2-dimethylpropyl)-4-chloronaphthalene
CID 79597822

Frequently Asked Questions

What is the IUPAC name of (1S)-1-(4-chloronaphthalen-1-yl)ethanol?
The IUPAC name of (1S)-1-(4-chloronaphthalen-1-yl)ethanol (CID 82758359) is (1S)-1-(4-chloronaphthalen-1-yl)ethanol.
What is the SMILES notation for (1S)-1-(4-chloronaphthalen-1-yl)ethanol?
The canonical SMILES for (1S)-1-(4-chloronaphthalen-1-yl)ethanol is C[C@H](O)c1ccc(Cl)c2ccccc12.
What is the InChIKey of (1S)-1-(4-chloronaphthalen-1-yl)ethanol?
The InChIKey is WKZBMTDUKURYPE-QMMMGPOBSA-N. The full InChI is InChI=1S/C12H11ClO/c1-8(14)9-6-7-12(13)11-5-3-2-4-10(9)11/h2-8,14H,1H3/t8-/m0/s1.
What are the key properties of (1S)-1-(4-chloronaphthalen-1-yl)ethanol?
(1S)-1-(4-chloronaphthalen-1-yl)ethanol has a molecular weight of 206.67 g/mol, XLogP of 3.55, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-(4-chloronaphthalen-1-yl)ethanol is sourced from PubChem (CID 82758359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).