(4-chloro-2-methoxyphenyl)-(2-propoxyphenyl)methanol

C17H19ClO3 — CID 115833005

IUPAC(4-chloro-2-methoxyphenyl)-(2-propoxyphenyl)methanol
SMILESCCCOc1ccccc1C(O)c1ccc(Cl)cc1OC
InChIInChI=1S/C17H19ClO3/c1-3-10-21-15-7-5-4-6-13(15)17(19)14-9-8-12(18)11-16(14)20-2/h4-9,11,17,19H,3,10H2,1-2H3
InChIKeyIASVBENWJRVOBG-UHFFFAOYSA-N
MW306.79 g/mol
LogP4.22
Rot. Bonds6

About (4-chloro-2-methoxyphenyl)-(2-propoxyphenyl)methanol

(4-chloro-2-methoxyphenyl)-(2-propoxyphenyl)methanol (PubChem CID 115833005) has the molecular formula C17H19ClO3 and a molecular weight of 306.79 g/mol. Its IUPAC name is (4-chloro-2-methoxyphenyl)-(2-propoxyphenyl)methanol.

Molecular Properties

Compound Name(4-chloro-2-methoxyphenyl)-(2-propoxyphenyl)methanol
PubChem CID115833005
Molecular FormulaC17H19ClO3
Molecular Weight306.79 g/mol
Exact Mass306.10
IUPAC Name(4-chloro-2-methoxyphenyl)-(2-propoxyphenyl)methanol
SMILESCCCOc1ccccc1C(O)c1ccc(Cl)cc1OC
InChIInChI=1S/C17H19ClO3/c1-3-10-21-15-7-5-4-6-13(15)17(19)14-9-8-12(18)11-16(14)20-2/h4-9,11,17,19H,3,10H2,1-2H3
InChIKeyIASVBENWJRVOBG-UHFFFAOYSA-N
XLogP4.22
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.79
LogP ≤ 54.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2,5-dichlorophenyl)-(2-methoxyphenyl)methanol
CID 61082800
(2-methoxy-3-pyridinyl)-(2-propoxyphenyl)methanol
CID 105125991
(3-bromo-4-methoxyphenyl)-(2-propoxyphenyl)methanol
CID 104658559
(4-chloro-2-methoxyphenyl)-(2,3-dimethylphenyl)methanol
CID 115791592
(3-methoxythiophen-2-yl)-(2-propoxyphenyl)methanol
CID 115833017
(2-bromo-5-fluorophenyl)-(2-propoxyphenyl)methanol
CID 115833056
(1R)-1-(5-chloro-2-propoxyphenyl)ethanol
CID 63364392
(1R)-1-(4-chloro-2-methoxyphenyl)butan-1-ol
CID 106820012
(2-chloro-6-fluorophenyl)-(2-propoxyphenyl)methanol
CID 104658590
1-(4-chloro-2-methoxyphenyl)propan-1-ol
CID 115787726
(2-methoxyphenyl)-(3-propoxyphenyl)methanol
CID 63894602
(3-bromo-4-fluorophenyl)-(2-propoxyphenyl)methanol
CID 104658638

Frequently Asked Questions

What is the IUPAC name of (4-chloro-2-methoxyphenyl)-(2-propoxyphenyl)methanol?
The IUPAC name of (4-chloro-2-methoxyphenyl)-(2-propoxyphenyl)methanol (CID 115833005) is (4-chloro-2-methoxyphenyl)-(2-propoxyphenyl)methanol.
What is the SMILES notation for (4-chloro-2-methoxyphenyl)-(2-propoxyphenyl)methanol?
The canonical SMILES for (4-chloro-2-methoxyphenyl)-(2-propoxyphenyl)methanol is CCCOc1ccccc1C(O)c1ccc(Cl)cc1OC.
What is the InChIKey of (4-chloro-2-methoxyphenyl)-(2-propoxyphenyl)methanol?
The InChIKey is IASVBENWJRVOBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19ClO3/c1-3-10-21-15-7-5-4-6-13(15)17(19)14-9-8-12(18)11-16(14)20-2/h4-9,11,17,19H,3,10H2,1-2H3.
What are the key properties of (4-chloro-2-methoxyphenyl)-(2-propoxyphenyl)methanol?
(4-chloro-2-methoxyphenyl)-(2-propoxyphenyl)methanol has a molecular weight of 306.79 g/mol, XLogP of 4.22, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-chloro-2-methoxyphenyl)-(2-propoxyphenyl)methanol is sourced from PubChem (CID 115833005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).