(3-bromo-4-methoxyphenyl)-(4-butylcyclohexyl)methanol

C18H27BrO2 — CID 63428449

IUPAC(3-bromo-4-methoxyphenyl)-(4-butylcyclohexyl)methanol
SMILESCCCCC1CCC(C(O)c2ccc(OC)c(Br)c2)CC1
InChIInChI=1S/C18H27BrO2/c1-3-4-5-13-6-8-14(9-7-13)18(20)15-10-11-17(21-2)16(19)12-15/h10-14,18,20H,3-9H2,1-2H3
InChIKeyUBTMFHKZXDFNFK-UHFFFAOYSA-N
MW355.32 g/mol
LogP5.49
Rot. Bonds6

About (3-bromo-4-methoxyphenyl)-(4-butylcyclohexyl)methanol

(3-bromo-4-methoxyphenyl)-(4-butylcyclohexyl)methanol (PubChem CID 63428449) has the molecular formula C18H27BrO2 and a molecular weight of 355.32 g/mol. Its IUPAC name is (3-bromo-4-methoxyphenyl)-(4-butylcyclohexyl)methanol.

Molecular Properties

Compound Name(3-bromo-4-methoxyphenyl)-(4-butylcyclohexyl)methanol
PubChem CID63428449
Molecular FormulaC18H27BrO2
Molecular Weight355.32 g/mol
Exact Mass354.12
IUPAC Name(3-bromo-4-methoxyphenyl)-(4-butylcyclohexyl)methanol
SMILESCCCCC1CCC(C(O)c2ccc(OC)c(Br)c2)CC1
InChIInChI=1S/C18H27BrO2/c1-3-4-5-13-6-8-14(9-7-13)18(20)15-10-11-17(21-2)16(19)12-15/h10-14,18,20H,3-9H2,1-2H3
InChIKeyUBTMFHKZXDFNFK-UHFFFAOYSA-N
XLogP5.49
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500355.32
LogP ≤ 55.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(3-bromo-4-methoxyphenyl)-(4-methylcyclohexyl)methanol
CID 64749368
(3-bromo-4-fluorophenyl)-(4-butylcyclohexyl)methanol
CID 79747124
(4-butylcyclohexyl)-(5-fluoro-2-methoxyphenyl)methanol
CID 63426635
(4-butylcyclohexyl)-(4-chlorophenyl)methanol
CID 63426121
(4-butylcyclohexyl)-(3-methylphenyl)methanol
CID 114978020
(4-butylcyclohexyl)-(3-fluorophenyl)methanol
CID 114978561
4-bromo-2-[(4-butylcyclohexyl)-chloromethyl]-1-methoxybenzene
CID 63427364
(1R)-1-(3-bromo-4-methoxyphenyl)butan-1-ol
CID 93189097
[1-(3-bromo-4-methoxyphenyl)-3-cyclopropylpropyl]hydrazine
CID 105315194
(3-tert-butyl-4-methoxyphenyl)-cyclopropylmethanol
CID 82049131
2-bromo-4-(2-chloro-1-cyclopropylethyl)-1-methoxybenzene
CID 82094244
2-(3-bromo-4-methoxyphenyl)-2-cyclopropylethanamine
CID 82093055

Frequently Asked Questions

What is the IUPAC name of (3-bromo-4-methoxyphenyl)-(4-butylcyclohexyl)methanol?
The IUPAC name of (3-bromo-4-methoxyphenyl)-(4-butylcyclohexyl)methanol (CID 63428449) is (3-bromo-4-methoxyphenyl)-(4-butylcyclohexyl)methanol.
What is the SMILES notation for (3-bromo-4-methoxyphenyl)-(4-butylcyclohexyl)methanol?
The canonical SMILES for (3-bromo-4-methoxyphenyl)-(4-butylcyclohexyl)methanol is CCCCC1CCC(C(O)c2ccc(OC)c(Br)c2)CC1.
What is the InChIKey of (3-bromo-4-methoxyphenyl)-(4-butylcyclohexyl)methanol?
The InChIKey is UBTMFHKZXDFNFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27BrO2/c1-3-4-5-13-6-8-14(9-7-13)18(20)15-10-11-17(21-2)16(19)12-15/h10-14,18,20H,3-9H2,1-2H3.
What are the key properties of (3-bromo-4-methoxyphenyl)-(4-butylcyclohexyl)methanol?
(3-bromo-4-methoxyphenyl)-(4-butylcyclohexyl)methanol has a molecular weight of 355.32 g/mol, XLogP of 5.49, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3-bromo-4-methoxyphenyl)-(4-butylcyclohexyl)methanol is sourced from PubChem (CID 63428449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).