(3-bromo-4-methoxyphenyl)-(2-propoxyphenyl)methanol

C17H19BrO3 — CID 104658559

IUPAC(3-bromo-4-methoxyphenyl)-(2-propoxyphenyl)methanol
SMILESCCCOc1ccccc1C(O)c1ccc(OC)c(Br)c1
InChIInChI=1S/C17H19BrO3/c1-3-10-21-15-7-5-4-6-13(15)17(19)12-8-9-16(20-2)14(18)11-12/h4-9,11,17,19H,3,10H2,1-2H3
InChIKeyULPAGTJPSLDNRL-UHFFFAOYSA-N
MW351.24 g/mol
LogP4.33
Rot. Bonds6

About (3-bromo-4-methoxyphenyl)-(2-propoxyphenyl)methanol

(3-bromo-4-methoxyphenyl)-(2-propoxyphenyl)methanol (PubChem CID 104658559) has the molecular formula C17H19BrO3 and a molecular weight of 351.24 g/mol. Its IUPAC name is (3-bromo-4-methoxyphenyl)-(2-propoxyphenyl)methanol.

Molecular Properties

Compound Name(3-bromo-4-methoxyphenyl)-(2-propoxyphenyl)methanol
PubChem CID104658559
Molecular FormulaC17H19BrO3
Molecular Weight351.24 g/mol
Exact Mass350.05
IUPAC Name(3-bromo-4-methoxyphenyl)-(2-propoxyphenyl)methanol
SMILESCCCOc1ccccc1C(O)c1ccc(OC)c(Br)c1
InChIInChI=1S/C17H19BrO3/c1-3-10-21-15-7-5-4-6-13(15)17(19)12-8-9-16(20-2)14(18)11-12/h4-9,11,17,19H,3,10H2,1-2H3
InChIKeyULPAGTJPSLDNRL-UHFFFAOYSA-N
XLogP4.33
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.24
LogP ≤ 54.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3-bromo-4-fluorophenyl)-(2-propoxyphenyl)methanol
CID 104658638
(3-bromo-4-propoxyphenyl)-(2-chlorophenyl)methanol
CID 104661270
(3-bromo-2-chlorophenyl)-(3-bromo-4-propoxyphenyl)methanol
CID 104661288
(3-bromo-4-ethoxyphenyl)-(3-bromo-4-methoxyphenyl)methanol
CID 104661023
(2-methoxyphenyl)-(3-propoxyphenyl)methanol
CID 63894602
(3-bromo-4-propoxyphenyl)-(4-fluorophenyl)methanol
CID 104661170
(4-iodophenyl)-(2-propoxyphenyl)methanol
CID 115833070
(3-bromo-4-methoxyphenyl)-(2-ethoxy-5-methylphenyl)methanol
CID 62302503
(3-bromo-5-fluorophenyl)-(2-propoxyphenyl)methanol
CID 104659620
(3-bromo-4-chlorophenyl)-(3-bromo-4-propoxyphenyl)methanol
CID 107991347
(3-bromo-4-propoxyphenyl)-(4-chlorophenyl)methanol
CID 104661171
(4-chloro-2-methoxyphenyl)-(2-propoxyphenyl)methanol
CID 115833005

Frequently Asked Questions

What is the IUPAC name of (3-bromo-4-methoxyphenyl)-(2-propoxyphenyl)methanol?
The IUPAC name of (3-bromo-4-methoxyphenyl)-(2-propoxyphenyl)methanol (CID 104658559) is (3-bromo-4-methoxyphenyl)-(2-propoxyphenyl)methanol.
What is the SMILES notation for (3-bromo-4-methoxyphenyl)-(2-propoxyphenyl)methanol?
The canonical SMILES for (3-bromo-4-methoxyphenyl)-(2-propoxyphenyl)methanol is CCCOc1ccccc1C(O)c1ccc(OC)c(Br)c1.
What is the InChIKey of (3-bromo-4-methoxyphenyl)-(2-propoxyphenyl)methanol?
The InChIKey is ULPAGTJPSLDNRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19BrO3/c1-3-10-21-15-7-5-4-6-13(15)17(19)12-8-9-16(20-2)14(18)11-12/h4-9,11,17,19H,3,10H2,1-2H3.
What are the key properties of (3-bromo-4-methoxyphenyl)-(2-propoxyphenyl)methanol?
(3-bromo-4-methoxyphenyl)-(2-propoxyphenyl)methanol has a molecular weight of 351.24 g/mol, XLogP of 4.33, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-bromo-4-methoxyphenyl)-(2-propoxyphenyl)methanol is sourced from PubChem (CID 104658559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).