(4-chloronaphthalen-1-yl)-cyclobutylmethanol

C15H15ClO — CID 79597390

IUPAC(4-chloronaphthalen-1-yl)-cyclobutylmethanol
SMILESOC(c1ccc(Cl)c2ccccc12)C1CCC1
InChIInChI=1S/C15H15ClO/c16-14-9-8-13(15(17)10-4-3-5-10)11-6-1-2-7-12(11)14/h1-2,6-10,15,17H,3-5H2
InChIKeyMATADZVJDCNPKR-UHFFFAOYSA-N
MW246.74 g/mol
LogP4.33
Rot. Bonds2

About (4-chloronaphthalen-1-yl)-cyclobutylmethanol

(4-chloronaphthalen-1-yl)-cyclobutylmethanol (PubChem CID 79597390) has the molecular formula C15H15ClO and a molecular weight of 246.74 g/mol. Its IUPAC name is (4-chloronaphthalen-1-yl)-cyclobutylmethanol.

Molecular Properties

Compound Name(4-chloronaphthalen-1-yl)-cyclobutylmethanol
PubChem CID79597390
Molecular FormulaC15H15ClO
Molecular Weight246.74 g/mol
Exact Mass246.08
IUPAC Name(4-chloronaphthalen-1-yl)-cyclobutylmethanol
SMILESOC(c1ccc(Cl)c2ccccc12)C1CCC1
InChIInChI=1S/C15H15ClO/c16-14-9-8-13(15(17)10-4-3-5-10)11-6-1-2-7-12(11)14/h1-2,6-10,15,17H,3-5H2
InChIKeyMATADZVJDCNPKR-UHFFFAOYSA-N
XLogP4.33
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.74
LogP ≤ 54.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-chloro-4-[chloro(cyclopentyl)methyl]naphthalene
CID 79597392
(4-chloronaphthalen-1-yl)-cyclohexylmethanamine
CID 79596753
(4-bromonaphthalen-1-yl)-cyclohexylmethanol
CID 79596872
(R)-(2-chlorophenyl)-cyclopentylmethanol
CID 93462160
cyclobutyl-(2,3-dichlorophenyl)methanol
CID 64986948
(1S)-1-(4-chloronaphthalen-1-yl)ethanol
CID 82758359
1-(1-bromo-2-cyclopentylethyl)-4-chloronaphthalene
CID 79597680
cyclopropyl-(4-methoxynaphthalen-1-yl)methanol
CID 61100695
cyclobutyl-(2-iodophenyl)methanol
CID 115837930
3-[chloro-(4-chloronaphthalen-1-yl)methyl]thiolane 1,1-dioxide
CID 79596837
1-(4-chloronaphthalen-1-yl)-2,2,2-trifluoroethanol
CID 79597742
(1S)-1-(4-chloronaphthalen-1-yl)-2-(dimethylamino)ethanol
CID 3246100

Frequently Asked Questions

What is the IUPAC name of (4-chloronaphthalen-1-yl)-cyclobutylmethanol?
The IUPAC name of (4-chloronaphthalen-1-yl)-cyclobutylmethanol (CID 79597390) is (4-chloronaphthalen-1-yl)-cyclobutylmethanol.
What is the SMILES notation for (4-chloronaphthalen-1-yl)-cyclobutylmethanol?
The canonical SMILES for (4-chloronaphthalen-1-yl)-cyclobutylmethanol is OC(c1ccc(Cl)c2ccccc12)C1CCC1.
What is the InChIKey of (4-chloronaphthalen-1-yl)-cyclobutylmethanol?
The InChIKey is MATADZVJDCNPKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15ClO/c16-14-9-8-13(15(17)10-4-3-5-10)11-6-1-2-7-12(11)14/h1-2,6-10,15,17H,3-5H2.
What are the key properties of (4-chloronaphthalen-1-yl)-cyclobutylmethanol?
(4-chloronaphthalen-1-yl)-cyclobutylmethanol has a molecular weight of 246.74 g/mol, XLogP of 4.33, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4-chloronaphthalen-1-yl)-cyclobutylmethanol is sourced from PubChem (CID 79597390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).