(3-bromo-4-methoxyphenyl)-(2-ethoxy-5-methylphenyl)methanol

C17H19BrO3 — CID 62302503

IUPAC(3-bromo-4-methoxyphenyl)-(2-ethoxy-5-methylphenyl)methanol
SMILESCCOc1ccc(C)cc1C(O)c1ccc(OC)c(Br)c1
InChIInChI=1S/C17H19BrO3/c1-4-21-15-7-5-11(2)9-13(15)17(19)12-6-8-16(20-3)14(18)10-12/h5-10,17,19H,4H2,1-3H3
InChIKeyNQASVDKKQRLICD-UHFFFAOYSA-N
MW351.24 g/mol
LogP4.25
Rot. Bonds5

About (3-bromo-4-methoxyphenyl)-(2-ethoxy-5-methylphenyl)methanol

(3-bromo-4-methoxyphenyl)-(2-ethoxy-5-methylphenyl)methanol (PubChem CID 62302503) has the molecular formula C17H19BrO3 and a molecular weight of 351.24 g/mol. Its IUPAC name is (3-bromo-4-methoxyphenyl)-(2-ethoxy-5-methylphenyl)methanol.

Molecular Properties

Compound Name(3-bromo-4-methoxyphenyl)-(2-ethoxy-5-methylphenyl)methanol
PubChem CID62302503
Molecular FormulaC17H19BrO3
Molecular Weight351.24 g/mol
Exact Mass350.05
IUPAC Name(3-bromo-4-methoxyphenyl)-(2-ethoxy-5-methylphenyl)methanol
SMILESCCOc1ccc(C)cc1C(O)c1ccc(OC)c(Br)c1
InChIInChI=1S/C17H19BrO3/c1-4-21-15-7-5-11(2)9-13(15)17(19)12-6-8-16(20-3)14(18)10-12/h5-10,17,19H,4H2,1-3H3
InChIKeyNQASVDKKQRLICD-UHFFFAOYSA-N
XLogP4.25
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.24
LogP ≤ 54.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3-bromo-4-ethoxyphenyl)-(3-bromo-4-methoxyphenyl)methanol
CID 104661023
(3-bromo-4-methoxyphenyl)-(2-fluoro-5-methylphenyl)methanol
CID 62511360
(2-bromo-5-methylphenyl)-(3,4-dimethoxyphenyl)methanol
CID 81111618
(3-bromo-4-methoxyphenyl)-(2-propoxyphenyl)methanol
CID 104658559
(2-ethoxy-5-methylphenyl)-(3-fluorophenyl)methanol
CID 62301823
(5-bromo-2-ethoxyphenyl)-(4-bromophenyl)methanol
CID 61081643
(3-bromo-4-methoxyphenyl)-(4-methoxy-3-methylphenyl)methanol
CID 61080516
(4-ethylsulfanylphenyl)-(2-methoxy-5-methylphenyl)methanol
CID 106848292
(3-bromo-4-methoxyphenyl)-(2,4-dibromophenyl)methanol
CID 107955289
(3-bromo-4-ethoxyphenyl)-(4-ethylphenyl)methanol
CID 67459476
(3-bromo-4-methoxyphenyl)-(4-bromo-2-methoxyphenyl)methanol
CID 115369701
(3-bromo-4-methoxyphenyl)-(2-methylfuran-3-yl)methanol
CID 61100656

Frequently Asked Questions

What is the IUPAC name of (3-bromo-4-methoxyphenyl)-(2-ethoxy-5-methylphenyl)methanol?
The IUPAC name of (3-bromo-4-methoxyphenyl)-(2-ethoxy-5-methylphenyl)methanol (CID 62302503) is (3-bromo-4-methoxyphenyl)-(2-ethoxy-5-methylphenyl)methanol.
What is the SMILES notation for (3-bromo-4-methoxyphenyl)-(2-ethoxy-5-methylphenyl)methanol?
The canonical SMILES for (3-bromo-4-methoxyphenyl)-(2-ethoxy-5-methylphenyl)methanol is CCOc1ccc(C)cc1C(O)c1ccc(OC)c(Br)c1.
What is the InChIKey of (3-bromo-4-methoxyphenyl)-(2-ethoxy-5-methylphenyl)methanol?
The InChIKey is NQASVDKKQRLICD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19BrO3/c1-4-21-15-7-5-11(2)9-13(15)17(19)12-6-8-16(20-3)14(18)10-12/h5-10,17,19H,4H2,1-3H3.
What are the key properties of (3-bromo-4-methoxyphenyl)-(2-ethoxy-5-methylphenyl)methanol?
(3-bromo-4-methoxyphenyl)-(2-ethoxy-5-methylphenyl)methanol has a molecular weight of 351.24 g/mol, XLogP of 4.25, 5 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-ethoxy-5-methylphenyl)methanol is sourced from PubChem (CID 62302503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).