(4-bromonaphthalen-1-yl)-cyclohexylmethanol

C17H19BrO — CID 79596872

IUPAC(4-bromonaphthalen-1-yl)-cyclohexylmethanol
SMILESOC(c1ccc(Br)c2ccccc12)C1CCCCC1
InChIInChI=1S/C17H19BrO/c18-16-11-10-15(13-8-4-5-9-14(13)16)17(19)12-6-2-1-3-7-12/h4-5,8-12,17,19H,1-3,6-7H2
InChIKeyTYTYOACDXXSMSE-UHFFFAOYSA-N
MW319.24 g/mol
LogP5.22
Rot. Bonds2

About (4-bromonaphthalen-1-yl)-cyclohexylmethanol

(4-bromonaphthalen-1-yl)-cyclohexylmethanol (PubChem CID 79596872) has the molecular formula C17H19BrO and a molecular weight of 319.24 g/mol. Its IUPAC name is (4-bromonaphthalen-1-yl)-cyclohexylmethanol.

Molecular Properties

Compound Name(4-bromonaphthalen-1-yl)-cyclohexylmethanol
PubChem CID79596872
Molecular FormulaC17H19BrO
Molecular Weight319.24 g/mol
Exact Mass318.06
IUPAC Name(4-bromonaphthalen-1-yl)-cyclohexylmethanol
SMILESOC(c1ccc(Br)c2ccccc12)C1CCCCC1
InChIInChI=1S/C17H19BrO/c18-16-11-10-15(13-8-4-5-9-14(13)16)17(19)12-6-2-1-3-7-12/h4-5,8-12,17,19H,1-3,6-7H2
InChIKeyTYTYOACDXXSMSE-UHFFFAOYSA-N
XLogP5.22
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500319.24
LogP ≤ 55.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(5-bromoquinolin-8-yl)-cyclopentylmethanol
CID 112618124
(4-chloronaphthalen-1-yl)-cyclobutylmethanol
CID 79597390
(4-bromonaphthalen-1-yl)-(2,2-dimethylcyclopropyl)methanol
CID 107002540
(2-bromo-4-fluorophenyl)-cyclohexylmethanol
CID 91636325
(2-bromo-4-methylphenyl)-cycloheptylmethanol
CID 82928098
(7-bromo-1-benzothiophen-3-yl)-cyclopentylmethanol
CID 81153438
1-(4-bromonaphthalen-1-yl)propan-1-ol
CID 79597638
(R)-(4-bromo-2-fluorophenyl)-cyclohexylmethanol
CID 97027176
1-(4-bromonaphthalen-1-yl)-3-(oxolan-2-yl)propan-1-ol
CID 79597707
(4-bromothiophen-3-yl)-cyclohexylmethanol
CID 79596363
cyclopropyl-(4-methoxynaphthalen-1-yl)methanol
CID 61100695
(R)-cycloheptyl(phenyl)methanol
CID 94502427

Frequently Asked Questions

What is the IUPAC name of (4-bromonaphthalen-1-yl)-cyclohexylmethanol?
The IUPAC name of (4-bromonaphthalen-1-yl)-cyclohexylmethanol (CID 79596872) is (4-bromonaphthalen-1-yl)-cyclohexylmethanol.
What is the SMILES notation for (4-bromonaphthalen-1-yl)-cyclohexylmethanol?
The canonical SMILES for (4-bromonaphthalen-1-yl)-cyclohexylmethanol is OC(c1ccc(Br)c2ccccc12)C1CCCCC1.
What is the InChIKey of (4-bromonaphthalen-1-yl)-cyclohexylmethanol?
The InChIKey is TYTYOACDXXSMSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19BrO/c18-16-11-10-15(13-8-4-5-9-14(13)16)17(19)12-6-2-1-3-7-12/h4-5,8-12,17,19H,1-3,6-7H2.
What are the key properties of (4-bromonaphthalen-1-yl)-cyclohexylmethanol?
(4-bromonaphthalen-1-yl)-cyclohexylmethanol has a molecular weight of 319.24 g/mol, XLogP of 5.22, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4-bromonaphthalen-1-yl)-cyclohexylmethanol is sourced from PubChem (CID 79596872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).