(3-bromophenyl)methyl 4-(4-hydroxyphenyl)benzoate

C20H15BrO3 — CID 7209518

IUPAC(3-bromophenyl)methyl 4-(4-hydroxyphenyl)benzoate
SMILESO=C(OCc1cccc(Br)c1)c1ccc(-c2ccc(O)cc2)cc1
InChIInChI=1S/C20H15BrO3/c21-18-3-1-2-14(12-18)13-24-20(23)17-6-4-15(5-7-17)16-8-10-19(22)11-9-16/h1-12,22H,13H2
InChIKeyVFTPVAXHIVVZBL-UHFFFAOYSA-N
MW383.24 g/mol
LogP5.18
Rot. Bonds4

About (3-bromophenyl)methyl 4-(4-hydroxyphenyl)benzoate

(3-bromophenyl)methyl 4-(4-hydroxyphenyl)benzoate (PubChem CID 7209518) has the molecular formula C20H15BrO3 and a molecular weight of 383.24 g/mol. Its IUPAC name is (3-bromophenyl)methyl 4-(4-hydroxyphenyl)benzoate.

Molecular Properties

Compound Name(3-bromophenyl)methyl 4-(4-hydroxyphenyl)benzoate
PubChem CID7209518
Molecular FormulaC20H15BrO3
Molecular Weight383.24 g/mol
Exact Mass382.02
IUPAC Name(3-bromophenyl)methyl 4-(4-hydroxyphenyl)benzoate
SMILESO=C(OCc1cccc(Br)c1)c1ccc(-c2ccc(O)cc2)cc1
InChIInChI=1S/C20H15BrO3/c21-18-3-1-2-14(12-18)13-24-20(23)17-6-4-15(5-7-17)16-8-10-19(22)11-9-16/h1-12,22H,13H2
InChIKeyVFTPVAXHIVVZBL-UHFFFAOYSA-N
XLogP5.18
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500383.24
LogP ≤ 55.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3-cyanophenyl)methyl 4-(4-hydroxyphenyl)benzoate
CID 7133515
(3-bromophenyl)methyl 3-aminobenzoate
CID 60665536
(3-bromophenyl)methyl 5-bromo-2-hydroxybenzoate
CID 7786444
benzyl 4-bromobenzoate
CID 603177
(3-bromophenyl)methyl 2-sulfanylbenzoate
CID 107018986
prop-2-ynyl 4-[(3-bromophenyl)methoxy]benzoate
CID 91683305
bis[(3-bromophenyl)methyl] pentanedioate
CID 91708477
(4-methoxyphenyl)methyl 4-(4-hydroxyphenyl)benzoate
CID 16577371
(3-bromophenyl)methyl 2-amino-3,5-dibromobenzoate
CID 82823318
(3-bromophenyl)methyl 3-(2,5-dioxopyrrolidin-1-yl)benzoate
CID 55307116
quinolin-3-ylmethyl 4-(4-hydroxyphenyl)benzoate
CID 10832034
(3-bromophenyl)methyl prop-2-ynoate
CID 175311975

Frequently Asked Questions

What is the IUPAC name of (3-bromophenyl)methyl 4-(4-hydroxyphenyl)benzoate?
The IUPAC name of (3-bromophenyl)methyl 4-(4-hydroxyphenyl)benzoate (CID 7209518) is (3-bromophenyl)methyl 4-(4-hydroxyphenyl)benzoate.
What is the SMILES notation for (3-bromophenyl)methyl 4-(4-hydroxyphenyl)benzoate?
The canonical SMILES for (3-bromophenyl)methyl 4-(4-hydroxyphenyl)benzoate is O=C(OCc1cccc(Br)c1)c1ccc(-c2ccc(O)cc2)cc1.
What is the InChIKey of (3-bromophenyl)methyl 4-(4-hydroxyphenyl)benzoate?
The InChIKey is VFTPVAXHIVVZBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15BrO3/c21-18-3-1-2-14(12-18)13-24-20(23)17-6-4-15(5-7-17)16-8-10-19(22)11-9-16/h1-12,22H,13H2.
What are the key properties of (3-bromophenyl)methyl 4-(4-hydroxyphenyl)benzoate?
(3-bromophenyl)methyl 4-(4-hydroxyphenyl)benzoate has a molecular weight of 383.24 g/mol, XLogP of 5.18, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-bromophenyl)methyl 4-(4-hydroxyphenyl)benzoate is sourced from PubChem (CID 7209518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).