4-[4-[(4-chlorophenyl)methoxy]-3-methoxyphenyl]butan-2-one

C18H19ClO3 — CID 82184682

IUPAC4-[4-[(4-chlorophenyl)methoxy]-3-methoxyphenyl]butan-2-one
SMILESCOc1cc(CCC(C)=O)ccc1OCc1ccc(Cl)cc1
InChIInChI=1S/C18H19ClO3/c1-13(20)3-4-14-7-10-17(18(11-14)21-2)22-12-15-5-8-16(19)9-6-15/h5-11H,3-4,12H2,1-2H3
InChIKeyDKIZEAIARUYQEE-UHFFFAOYSA-N
MW318.80 g/mol
LogP4.45
Rot. Bonds7

About 4-[4-[(4-chlorophenyl)methoxy]-3-methoxyphenyl]butan-2-one

4-[4-[(4-chlorophenyl)methoxy]-3-methoxyphenyl]butan-2-one (PubChem CID 82184682) has the molecular formula C18H19ClO3 and a molecular weight of 318.80 g/mol. Its IUPAC name is 4-[4-[(4-chlorophenyl)methoxy]-3-methoxyphenyl]butan-2-one.

Molecular Properties

Compound Name4-[4-[(4-chlorophenyl)methoxy]-3-methoxyphenyl]butan-2-one
PubChem CID82184682
Molecular FormulaC18H19ClO3
Molecular Weight318.80 g/mol
Exact Mass318.10
IUPAC Name4-[4-[(4-chlorophenyl)methoxy]-3-methoxyphenyl]butan-2-one
SMILESCOc1cc(CCC(C)=O)ccc1OCc1ccc(Cl)cc1
InChIInChI=1S/C18H19ClO3/c1-13(20)3-4-14-7-10-17(18(11-14)21-2)22-12-15-5-8-16(19)9-6-15/h5-11H,3-4,12H2,1-2H3
InChIKeyDKIZEAIARUYQEE-UHFFFAOYSA-N
XLogP4.45
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.80
LogP ≤ 54.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-[(4-chlorophenyl)methoxy]-3-methoxy-N-(2-oxopropyl)benzamide
CID 158622602
3-(3-methoxy-4-phenylmethoxyphenyl)propanoic acid
CID 2752415
4-[(4-chlorophenyl)methoxy]-3-methoxy-N,N-dimethylbenzamide
CID 27678333
3-(3-methoxy-4-phenylmethoxyphenyl)propanamide
CID 18442581
N-(4-acetylphenyl)-4-[(4-chlorophenyl)methoxy]-3-methoxybenzamide
CID 2282296
(4-chlorophenyl) 3-(4-ethoxy-3-methoxyphenyl)propanoate
CID 19221915
(E)-3-[4-[(4-chlorophenyl)methoxy]-3-methoxyphenyl]prop-2-enamide
CID 91685134
4-(3-methoxy-4-phenylmethoxyphenyl)butanoic acid
CID 117484134
(2S)-2-[[4-[(4-chlorophenyl)methoxy]-3-methoxyphenyl]methylamino]-3-methylbutanoic acid
CID 99123787
N'-(2-chlorobenzoyl)-4-[(4-chlorophenyl)methoxy]-3-methoxybenzohydrazide
CID 35929028
4-[(4-chlorophenyl)methoxy]-3-methoxy-N'-phenylbenzohydrazide
CID 78774841
(1R)-1-[4-[(4-chlorophenyl)methoxy]-3-methoxyphenyl]ethanol
CID 78931221

Frequently Asked Questions

What is the IUPAC name of 4-[4-[(4-chlorophenyl)methoxy]-3-methoxyphenyl]butan-2-one?
The IUPAC name of 4-[4-[(4-chlorophenyl)methoxy]-3-methoxyphenyl]butan-2-one (CID 82184682) is 4-[4-[(4-chlorophenyl)methoxy]-3-methoxyphenyl]butan-2-one.
What is the SMILES notation for 4-[4-[(4-chlorophenyl)methoxy]-3-methoxyphenyl]butan-2-one?
The canonical SMILES for 4-[4-[(4-chlorophenyl)methoxy]-3-methoxyphenyl]butan-2-one is COc1cc(CCC(C)=O)ccc1OCc1ccc(Cl)cc1.
What is the InChIKey of 4-[4-[(4-chlorophenyl)methoxy]-3-methoxyphenyl]butan-2-one?
The InChIKey is DKIZEAIARUYQEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19ClO3/c1-13(20)3-4-14-7-10-17(18(11-14)21-2)22-12-15-5-8-16(19)9-6-15/h5-11H,3-4,12H2,1-2H3.
What are the key properties of 4-[4-[(4-chlorophenyl)methoxy]-3-methoxyphenyl]butan-2-one?
4-[4-[(4-chlorophenyl)methoxy]-3-methoxyphenyl]butan-2-one has a molecular weight of 318.80 g/mol, XLogP of 4.45, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[(4-chlorophenyl)methoxy]-3-methoxyphenyl]butan-2-one is sourced from PubChem (CID 82184682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).