[4-[(3-bromophenyl)methoxy]phenyl]-cyclopropylmethanol

C17H17BrO2 — CID 50906468

IUPAC[4-[(3-bromophenyl)methoxy]phenyl]-cyclopropylmethanol
SMILESOC(c1ccc(OCc2cccc(Br)c2)cc1)C1CC1
InChIInChI=1S/C17H17BrO2/c18-15-3-1-2-12(10-15)11-20-16-8-6-14(7-9-16)17(19)13-4-5-13/h1-3,6-10,13,17,19H,4-5,11H2
InChIKeyIVSVURRADAWCBU-UHFFFAOYSA-N
MW333.23 g/mol
LogP4.47
Rot. Bonds5

About [4-[(3-bromophenyl)methoxy]phenyl]-cyclopropylmethanol

[4-[(3-bromophenyl)methoxy]phenyl]-cyclopropylmethanol (PubChem CID 50906468) has the molecular formula C17H17BrO2 and a molecular weight of 333.23 g/mol. Its IUPAC name is [4-[(3-bromophenyl)methoxy]phenyl]-cyclopropylmethanol.

Molecular Properties

Compound Name[4-[(3-bromophenyl)methoxy]phenyl]-cyclopropylmethanol
PubChem CID50906468
Molecular FormulaC17H17BrO2
Molecular Weight333.23 g/mol
Exact Mass332.04
IUPAC Name[4-[(3-bromophenyl)methoxy]phenyl]-cyclopropylmethanol
SMILESOC(c1ccc(OCc2cccc(Br)c2)cc1)C1CC1
InChIInChI=1S/C17H17BrO2/c18-15-3-1-2-12(10-15)11-20-16-8-6-14(7-9-16)17(19)13-4-5-13/h1-3,6-10,13,17,19H,4-5,11H2
InChIKeyIVSVURRADAWCBU-UHFFFAOYSA-N
XLogP4.47
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.23
LogP ≤ 54.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(3-Bromo-4-methoxyphenyl)methanol
CID 13551346
4-[4-[(3-Bromophenyl)methoxy]phenyl]-4-hydroxybutanoic acid
CID 25178580
(E)-4-[4-[(4-bromophenyl)methoxy]phenyl]-4-hydroxybut-2-enoic acid
CID 137658585
1-[4-(4-Bromophenoxy)phenyl]ethan-1-ol
CID 43506431
4-[(Z)-7-(3-bromo-4-methoxyphenyl)-5-hydroxyhept-3-enyl]phenol
CID 145993465
4,4'-Oxybis(alpha-methylbenzenemethanol)
CID 219215
(5-Bromo-2-chlorophenyl)(4-ethyloxyphenyl)methanol
CID 61100046
(4-Benzyloxyphenyl)-cyclopropyl-methanol
CID 6482545
Cyclopropyl-[4-[(4-methoxyphenyl)methoxy]phenyl]methanol
CID 6482546
Cyclopropyl-[4-[(4-fluorophenyl)methoxy]phenyl]methanol
CID 6482547
[4-(Cyclopentylmethoxy)phenyl]-cyclopropyl-methanol
CID 6482551
1-(Cyclopropylmethyl)-4-[(4-methoxyphenyl)methoxy]benzene
CID 6482553

Frequently Asked Questions

What is the IUPAC name of [4-[(3-bromophenyl)methoxy]phenyl]-cyclopropylmethanol?
The IUPAC name of [4-[(3-bromophenyl)methoxy]phenyl]-cyclopropylmethanol (CID 50906468) is [4-[(3-bromophenyl)methoxy]phenyl]-cyclopropylmethanol.
What is the SMILES notation for [4-[(3-bromophenyl)methoxy]phenyl]-cyclopropylmethanol?
The canonical SMILES for [4-[(3-bromophenyl)methoxy]phenyl]-cyclopropylmethanol is OC(c1ccc(OCc2cccc(Br)c2)cc1)C1CC1.
What is the InChIKey of [4-[(3-bromophenyl)methoxy]phenyl]-cyclopropylmethanol?
The InChIKey is IVSVURRADAWCBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17BrO2/c18-15-3-1-2-12(10-15)11-20-16-8-6-14(7-9-16)17(19)13-4-5-13/h1-3,6-10,13,17,19H,4-5,11H2.
What are the key properties of [4-[(3-bromophenyl)methoxy]phenyl]-cyclopropylmethanol?
[4-[(3-bromophenyl)methoxy]phenyl]-cyclopropylmethanol has a molecular weight of 333.23 g/mol, XLogP of 4.47, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(3-bromophenyl)methoxy]phenyl]-cyclopropylmethanol is sourced from PubChem (CID 50906468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).