1-chloro-2-naphthalen-1-ylethanol

C12H11ClO — CID 54087449

IUPAC1-chloro-2-naphthalen-1-ylethanol
SMILESOC(Cl)Cc1cccc2ccccc12
InChIInChI=1S/C12H11ClO/c13-12(14)8-10-6-3-5-9-4-1-2-7-11(9)10/h1-7,12,14H,8H2
InChIKeyXESUQQFNGHABKK-UHFFFAOYSA-N
MW206.67 g/mol
LogP2.94
Rot. Bonds2

About 1-chloro-2-naphthalen-1-ylethanol

1-chloro-2-naphthalen-1-ylethanol (PubChem CID 54087449) has the molecular formula C12H11ClO and a molecular weight of 206.67 g/mol. Its IUPAC name is 1-chloro-2-naphthalen-1-ylethanol.

Molecular Properties

Compound Name1-chloro-2-naphthalen-1-ylethanol
PubChem CID54087449
Molecular FormulaC12H11ClO
Molecular Weight206.67 g/mol
Exact Mass206.05
IUPAC Name1-chloro-2-naphthalen-1-ylethanol
SMILESOC(Cl)Cc1cccc2ccccc12
InChIInChI=1S/C12H11ClO/c13-12(14)8-10-6-3-5-9-4-1-2-7-11(9)10/h1-7,12,14H,8H2
InChIKeyXESUQQFNGHABKK-UHFFFAOYSA-N
XLogP2.94
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.67
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

1-(2-chloropropyl)naphthalene
CID 12809422
2-methyl-3-naphthalen-1-ylpropane-1,1-diol
CID 20647931
1,1,1-trifluoro-3-naphthalen-1-ylpropan-2-ol
CID 62963158
(2S)-2-amino-3-naphthalen-1-ylpropan-1-ol
CID 57252069
1-(dimethylamino)-3-naphthalen-1-ylpropan-2-ol
CID 79088048
1-[2-chloro-2-(2,6-difluorophenyl)ethyl]naphthalene
CID 63519532
1-(3-chlorophenyl)-3-naphthalen-1-ylpropan-2-ol
CID 62608540
1-(3,3-dichloropropyl)naphthalene
CID 54458566
5,5-dimethyl-1-naphthalen-1-ylhexan-2-ol
CID 105091563
1-[2-chloro-2-(4-fluorophenyl)ethyl]naphthalene
CID 63519540
CID 57419547
CID 57419547
1-(2,5-dichlorothiophen-3-yl)-2-naphthalen-1-ylethanol
CID 107965715

Frequently Asked Questions

What is the IUPAC name of 1-chloro-2-naphthalen-1-ylethanol?
The IUPAC name of 1-chloro-2-naphthalen-1-ylethanol (CID 54087449) is 1-chloro-2-naphthalen-1-ylethanol.
What is the SMILES notation for 1-chloro-2-naphthalen-1-ylethanol?
The canonical SMILES for 1-chloro-2-naphthalen-1-ylethanol is OC(Cl)Cc1cccc2ccccc12.
What is the InChIKey of 1-chloro-2-naphthalen-1-ylethanol?
The InChIKey is XESUQQFNGHABKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11ClO/c13-12(14)8-10-6-3-5-9-4-1-2-7-11(9)10/h1-7,12,14H,8H2.
What are the key properties of 1-chloro-2-naphthalen-1-ylethanol?
1-chloro-2-naphthalen-1-ylethanol has a molecular weight of 206.67 g/mol, XLogP of 2.94, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-2-naphthalen-1-ylethanol is sourced from PubChem (CID 54087449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).