(3-bromo-4-propoxyphenyl)-(4-chlorophenyl)methanol

C16H16BrClO2 — CID 104661171

IUPAC(3-bromo-4-propoxyphenyl)-(4-chlorophenyl)methanol
SMILESCCCOc1ccc(C(O)c2ccc(Cl)cc2)cc1Br
InChIInChI=1S/C16H16BrClO2/c1-2-9-20-15-8-5-12(10-14(15)17)16(19)11-3-6-13(18)7-4-11/h3-8,10,16,19H,2,9H2,1H3
InChIKeyGEVGPPHPQLEWNM-UHFFFAOYSA-N
MW355.66 g/mol
LogP4.97
Rot. Bonds5

About (3-bromo-4-propoxyphenyl)-(4-chlorophenyl)methanol

(3-bromo-4-propoxyphenyl)-(4-chlorophenyl)methanol (PubChem CID 104661171) has the molecular formula C16H16BrClO2 and a molecular weight of 355.66 g/mol. Its IUPAC name is (3-bromo-4-propoxyphenyl)-(4-chlorophenyl)methanol.

Molecular Properties

Compound Name(3-bromo-4-propoxyphenyl)-(4-chlorophenyl)methanol
PubChem CID104661171
Molecular FormulaC16H16BrClO2
Molecular Weight355.66 g/mol
Exact Mass354.00
IUPAC Name(3-bromo-4-propoxyphenyl)-(4-chlorophenyl)methanol
SMILESCCCOc1ccc(C(O)c2ccc(Cl)cc2)cc1Br
InChIInChI=1S/C16H16BrClO2/c1-2-9-20-15-8-5-12(10-14(15)17)16(19)11-3-6-13(18)7-4-11/h3-8,10,16,19H,2,9H2,1H3
InChIKeyGEVGPPHPQLEWNM-UHFFFAOYSA-N
XLogP4.97
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.66
LogP ≤ 54.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(3-bromo-4-chlorophenyl)-(3-bromo-4-propoxyphenyl)methanol
CID 107991347
(3-bromo-4-propoxyphenyl)-(4-fluorophenyl)methanol
CID 104661170
(3-bromo-4-propoxyphenyl)-(2-chlorophenyl)methanol
CID 104661270
(3-bromo-4-propoxyphenyl)-(5-chlorothiophen-2-yl)methanol
CID 104661241
(3-bromo-2-chlorophenyl)-(3-bromo-4-propoxyphenyl)methanol
CID 104661288
1-[(3-bromo-4-propoxyphenyl)-chloromethyl]-4-chloro-2-fluorobenzene
CID 104662002
2-bromo-4-[bromo-(5-chloro-2-fluorophenyl)methyl]-1-propoxybenzene
CID 104662049
2-bromo-4-[bromo-(4-chloro-3-fluorophenyl)methyl]-1-propoxybenzene
CID 107992219
2-bromo-4-[bromo-(4-chloro-3-methylphenyl)methyl]-1-propoxybenzene
CID 104662090
1-bromo-4-[(3-bromo-4-propoxyphenyl)-chloromethyl]-2-methylbenzene
CID 104661898
2-bromo-4-[(4-bromo-2-chlorophenyl)-chloromethyl]-1-propoxybenzene
CID 104662005
(3-bromo-4-ethoxyphenyl)-(3-chloro-5-methylphenyl)methanol
CID 104661029

Frequently Asked Questions

What is the IUPAC name of (3-bromo-4-propoxyphenyl)-(4-chlorophenyl)methanol?
The IUPAC name of (3-bromo-4-propoxyphenyl)-(4-chlorophenyl)methanol (CID 104661171) is (3-bromo-4-propoxyphenyl)-(4-chlorophenyl)methanol.
What is the SMILES notation for (3-bromo-4-propoxyphenyl)-(4-chlorophenyl)methanol?
The canonical SMILES for (3-bromo-4-propoxyphenyl)-(4-chlorophenyl)methanol is CCCOc1ccc(C(O)c2ccc(Cl)cc2)cc1Br.
What is the InChIKey of (3-bromo-4-propoxyphenyl)-(4-chlorophenyl)methanol?
The InChIKey is GEVGPPHPQLEWNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16BrClO2/c1-2-9-20-15-8-5-12(10-14(15)17)16(19)11-3-6-13(18)7-4-11/h3-8,10,16,19H,2,9H2,1H3.
What are the key properties of (3-bromo-4-propoxyphenyl)-(4-chlorophenyl)methanol?
(3-bromo-4-propoxyphenyl)-(4-chlorophenyl)methanol has a molecular weight of 355.66 g/mol, XLogP of 4.97, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3-bromo-4-propoxyphenyl)-(4-chlorophenyl)methanol is sourced from PubChem (CID 104661171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).