(2-bromo-4-methylphenyl)-(4-cyclopropyloxyphenyl)methanol

C17H17BrO2 — CID 114518704

IUPAC(2-bromo-4-methylphenyl)-(4-cyclopropyloxyphenyl)methanol
SMILESCc1ccc(C(O)c2ccc(OC3CC3)cc2)c(Br)c1
InChIInChI=1S/C17H17BrO2/c1-11-2-9-15(16(18)10-11)17(19)12-3-5-13(6-4-12)20-14-7-8-14/h2-6,9-10,14,17,19H,7-8H2,1H3
InChIKeyREHVUOJMRCYNCP-UHFFFAOYSA-N
MW333.23 g/mol
LogP4.38
Rot. Bonds4

About (2-bromo-4-methylphenyl)-(4-cyclopropyloxyphenyl)methanol

(2-bromo-4-methylphenyl)-(4-cyclopropyloxyphenyl)methanol (PubChem CID 114518704) has the molecular formula C17H17BrO2 and a molecular weight of 333.23 g/mol. Its IUPAC name is (2-bromo-4-methylphenyl)-(4-cyclopropyloxyphenyl)methanol.

Molecular Properties

Compound Name(2-bromo-4-methylphenyl)-(4-cyclopropyloxyphenyl)methanol
PubChem CID114518704
Molecular FormulaC17H17BrO2
Molecular Weight333.23 g/mol
Exact Mass332.04
IUPAC Name(2-bromo-4-methylphenyl)-(4-cyclopropyloxyphenyl)methanol
SMILESCc1ccc(C(O)c2ccc(OC3CC3)cc2)c(Br)c1
InChIInChI=1S/C17H17BrO2/c1-11-2-9-15(16(18)10-11)17(19)12-3-5-13(6-4-12)20-14-7-8-14/h2-6,9-10,14,17,19H,7-8H2,1H3
InChIKeyREHVUOJMRCYNCP-UHFFFAOYSA-N
XLogP4.38
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.23
LogP ≤ 54.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(4-cyclopropyloxyphenyl)-(2-fluoro-4-methylphenyl)methanol
CID 115838353
(4-cyclopropyloxyphenyl)-(2-methoxy-4-methylphenyl)methanol
CID 106791062
(4-cyclopropyloxyphenyl)-(2,6-dimethyl-3-pyridinyl)methanol
CID 105131446
(4-cyclopropyloxyphenyl)-(2,4-difluoro-5-methylphenyl)methanol
CID 115838370
[(2-bromo-5-methylphenyl)-(4-cyclopropyloxyphenyl)methyl]hydrazine
CID 105341051
(4-cyclopropyloxyphenyl)-(4-ethoxyphenyl)methanol
CID 114518502
(3-cyclopropyloxyphenyl)-(2,4-dimethylphenyl)methanol
CID 114520837
(3-chloro-5-methylphenyl)-(4-cyclopropyloxyphenyl)methanol
CID 115838406
(4-cyclopropyloxyphenyl)-(5-methyl-2-pyridinyl)methanol
CID 114518682
(2-bromo-4-methylphenyl)-(4-fluoro-3-methoxyphenyl)methanol
CID 134514503
(2-bromo-4-fluorophenyl)-(3-cyclopropyloxyphenyl)methanol
CID 115838473
(4-cyclopropyloxyphenyl)-(3-fluoro-4-methylphenyl)methanol
CID 114518560

Frequently Asked Questions

What is the IUPAC name of (2-bromo-4-methylphenyl)-(4-cyclopropyloxyphenyl)methanol?
The IUPAC name of (2-bromo-4-methylphenyl)-(4-cyclopropyloxyphenyl)methanol (CID 114518704) is (2-bromo-4-methylphenyl)-(4-cyclopropyloxyphenyl)methanol.
What is the SMILES notation for (2-bromo-4-methylphenyl)-(4-cyclopropyloxyphenyl)methanol?
The canonical SMILES for (2-bromo-4-methylphenyl)-(4-cyclopropyloxyphenyl)methanol is Cc1ccc(C(O)c2ccc(OC3CC3)cc2)c(Br)c1.
What is the InChIKey of (2-bromo-4-methylphenyl)-(4-cyclopropyloxyphenyl)methanol?
The InChIKey is REHVUOJMRCYNCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17BrO2/c1-11-2-9-15(16(18)10-11)17(19)12-3-5-13(6-4-12)20-14-7-8-14/h2-6,9-10,14,17,19H,7-8H2,1H3.
What are the key properties of (2-bromo-4-methylphenyl)-(4-cyclopropyloxyphenyl)methanol?
(2-bromo-4-methylphenyl)-(4-cyclopropyloxyphenyl)methanol has a molecular weight of 333.23 g/mol, XLogP of 4.38, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2-bromo-4-methylphenyl)-(4-cyclopropyloxyphenyl)methanol is sourced from PubChem (CID 114518704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).