1-(3-chloro-4-hydroxyphenyl)ethanone;1-methyl-2-propoxybenzene

C18H21ClO3 — CID 143586421

IUPAC1-(3-chloro-4-hydroxyphenyl)ethanone;1-methyl-2-propoxybenzene
SMILESCC(=O)c1ccc(O)c(Cl)c1.CCCOc1ccccc1C
InChIInChI=1S/C10H14O.C8H7ClO2/c1-3-8-11-10-7-5-4-6-9(10)2;1-5(10)6-2-3-8(11)7(9)4-6/h4-7H,3,8H2,1-2H3;2-4,11H,1H3
InChIKeyHXICKUSVUDJHFC-UHFFFAOYSA-N
MW320.82 g/mol
LogP5.03
Rot. Bonds4

About 1-(3-chloro-4-hydroxyphenyl)ethanone;1-methyl-2-propoxybenzene

1-(3-chloro-4-hydroxyphenyl)ethanone;1-methyl-2-propoxybenzene (PubChem CID 143586421) has the molecular formula C18H21ClO3 and a molecular weight of 320.82 g/mol. Its IUPAC name is 1-(3-chloro-4-hydroxyphenyl)ethanone;1-methyl-2-propoxybenzene.

Molecular Properties

Compound Name1-(3-chloro-4-hydroxyphenyl)ethanone;1-methyl-2-propoxybenzene
PubChem CID143586421
Molecular FormulaC18H21ClO3
Molecular Weight320.82 g/mol
Exact Mass320.12
IUPAC Name1-(3-chloro-4-hydroxyphenyl)ethanone;1-methyl-2-propoxybenzene
SMILESCC(=O)c1ccc(O)c(Cl)c1.CCCOc1ccccc1C
InChIInChI=1S/C10H14O.C8H7ClO2/c1-3-8-11-10-7-5-4-6-9(10)2;1-5(10)6-2-3-8(11)7(9)4-6/h4-7H,3,8H2,1-2H3;2-4,11H,1H3
InChIKeyHXICKUSVUDJHFC-UHFFFAOYSA-N
XLogP5.03
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500320.82
LogP ≤ 55.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3-chloro-4-methylphenyl)-(2-propoxyphenyl)methanone
CID 115800840
1-(3-chloro-4-octoxyphenyl)ethanone
CID 55223026
3-chloro-4-[(2-methylphenoxy)methyl]benzamide
CID 102670666
1-[4-[(2-methylphenoxy)methyl]phenyl]ethanone
CID 20716241
3-chloro-5-ethoxy-4-hydroxy-N-methyl-N-[2-(2-methylphenoxy)ethyl]benzamide
CID 112800692
1-[4-(2-butoxyethoxy)-3-chlorophenyl]ethanone
CID 55132462
1-[4-[(2-chlorophenyl)methoxy]-3-hydroxyphenyl]ethanone
CID 10850109
(3-methoxy-4-methylphenyl)-(2-propoxyphenyl)methanone
CID 115800817
4-[2-(2-chlorophenoxy)ethoxy]-3-methylbenzoic acid
CID 107673991
2-chloro-1-methyl-3-propoxybenzene
CID 118269413
(4-chlorophenyl)-(2-propoxyphenyl)methanone
CID 104659114
3-chloro-4-hydroxy-N-(2-methylphenyl)benzamide
CID 18104256

Frequently Asked Questions

What is the IUPAC name of 1-(3-chloro-4-hydroxyphenyl)ethanone;1-methyl-2-propoxybenzene?
The IUPAC name of 1-(3-chloro-4-hydroxyphenyl)ethanone;1-methyl-2-propoxybenzene (CID 143586421) is 1-(3-chloro-4-hydroxyphenyl)ethanone;1-methyl-2-propoxybenzene.
What is the SMILES notation for 1-(3-chloro-4-hydroxyphenyl)ethanone;1-methyl-2-propoxybenzene?
The canonical SMILES for 1-(3-chloro-4-hydroxyphenyl)ethanone;1-methyl-2-propoxybenzene is CC(=O)c1ccc(O)c(Cl)c1.CCCOc1ccccc1C.
What is the InChIKey of 1-(3-chloro-4-hydroxyphenyl)ethanone;1-methyl-2-propoxybenzene?
The InChIKey is HXICKUSVUDJHFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14O.C8H7ClO2/c1-3-8-11-10-7-5-4-6-9(10)2;1-5(10)6-2-3-8(11)7(9)4-6/h4-7H,3,8H2,1-2H3;2-4,11H,1H3.
What are the key properties of 1-(3-chloro-4-hydroxyphenyl)ethanone;1-methyl-2-propoxybenzene?
1-(3-chloro-4-hydroxyphenyl)ethanone;1-methyl-2-propoxybenzene has a molecular weight of 320.82 g/mol, XLogP of 5.03, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chloro-4-hydroxyphenyl)ethanone;1-methyl-2-propoxybenzene is sourced from PubChem (CID 143586421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).