2-[3-chloro-4-[(3-chloro-4-propan-2-yloxyphenyl)methoxy]phenyl]acetic acid;cyclohexanamine

C24H31Cl2NO4 — CID 45052899

IUPAC2-[3-chloro-4-[(3-chloro-4-propan-2-yloxyphenyl)methoxy]phenyl]acetic acid;cyclohexanamine
SMILESCC(C)Oc1ccc(COc2ccc(CC(=O)O)cc2Cl)cc1Cl.NC1CCCCC1
InChIInChI=1S/C18H18Cl2O4.C6H13N/c1-11(2)24-17-6-4-13(8-15(17)20)10-23-16-5-3-12(7-14(16)19)9-18(21)22;7-6-4-2-1-3-5-6/h3-8,11H,9-10H2,1-2H3,(H,21,22);6H,1-5,7H2
InChIKeySOKFQMHNVWTVDJ-UHFFFAOYSA-N
MW468.42 g/mol
LogP6.26
Rot. Bonds7

About 2-[3-chloro-4-[(3-chloro-4-propan-2-yloxyphenyl)methoxy]phenyl]acetic acid;cyclohexanamine

2-[3-chloro-4-[(3-chloro-4-propan-2-yloxyphenyl)methoxy]phenyl]acetic acid;cyclohexanamine (PubChem CID 45052899) has the molecular formula C24H31Cl2NO4 and a molecular weight of 468.42 g/mol. Its IUPAC name is 2-[3-chloro-4-[(3-chloro-4-propan-2-yloxyphenyl)methoxy]phenyl]acetic acid;cyclohexanamine.

Molecular Properties

Compound Name2-[3-chloro-4-[(3-chloro-4-propan-2-yloxyphenyl)methoxy]phenyl]acetic acid;cyclohexanamine
PubChem CID45052899
Molecular FormulaC24H31Cl2NO4
Molecular Weight468.42 g/mol
Exact Mass467.16
IUPAC Name2-[3-chloro-4-[(3-chloro-4-propan-2-yloxyphenyl)methoxy]phenyl]acetic acid;cyclohexanamine
SMILESCC(C)Oc1ccc(COc2ccc(CC(=O)O)cc2Cl)cc1Cl.NC1CCCCC1
InChIInChI=1S/C18H18Cl2O4.C6H13N/c1-11(2)24-17-6-4-13(8-15(17)20)10-23-16-5-3-12(7-14(16)19)9-18(21)22;7-6-4-2-1-3-5-6/h3-8,11H,9-10H2,1-2H3,(H,21,22);6H,1-5,7H2
InChIKeySOKFQMHNVWTVDJ-UHFFFAOYSA-N
XLogP6.26
TPSA81.78 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500468.42
LogP ≤ 56.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-[3-chloro-4-[(3-chloro-4-propan-2-yloxyphenyl)methoxy]phenyl]acetic acid;cyclohexanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[3-chloro-4-[(4-propan-2-ylphenyl)methoxy]phenyl]acetic acid
CID 51057233
1-(3-chloro-4-propan-2-yloxyphenyl)propan-2-one
CID 82494710
2-[3-chloro-4-(1-ethoxy-1-oxopropan-2-yl)oxyphenyl]acetic acid
CID 110190887
2-[4-chloro-2,5-di(propan-2-yloxy)phenyl]acetic acid
CID 82267978
3-(3-chloro-4-propan-2-yloxyphenyl)-2-methylpropanoic acid
CID 83549965
2-[4-[(3-chloro-4-prop-2-enoxyphenyl)methoxy]-3-methoxyphenyl]acetic acid
CID 3534941
2-[3-[(2,4-dichlorophenoxy)methyl]phenyl]acetic acid
CID 155146115
N-(2-aminoethyl)-2-(3-chloro-4-propan-2-yloxyphenyl)acetamide
CID 95474116
2-(4-butoxy-3-chlorophenyl)acetic acid
CID 27380
methyl 2-(3-chloro-4-phenylmethoxyphenyl)acetate
CID 561937
2-[3-chloro-4-(1-methylsulfanylprop-2-enoxy)phenyl]acetic acid
CID 54252755
3-(3-chloro-4-phenylmethoxyphenyl)-1-cyclopentylpropan-1-one
CID 58762761

Frequently Asked Questions

What is the IUPAC name of 2-[3-chloro-4-[(3-chloro-4-propan-2-yloxyphenyl)methoxy]phenyl]acetic acid;cyclohexanamine?
The IUPAC name of 2-[3-chloro-4-[(3-chloro-4-propan-2-yloxyphenyl)methoxy]phenyl]acetic acid;cyclohexanamine (CID 45052899) is 2-[3-chloro-4-[(3-chloro-4-propan-2-yloxyphenyl)methoxy]phenyl]acetic acid;cyclohexanamine.
What is the SMILES notation for 2-[3-chloro-4-[(3-chloro-4-propan-2-yloxyphenyl)methoxy]phenyl]acetic acid;cyclohexanamine?
The canonical SMILES for 2-[3-chloro-4-[(3-chloro-4-propan-2-yloxyphenyl)methoxy]phenyl]acetic acid;cyclohexanamine is CC(C)Oc1ccc(COc2ccc(CC(=O)O)cc2Cl)cc1Cl.NC1CCCCC1.
What is the InChIKey of 2-[3-chloro-4-[(3-chloro-4-propan-2-yloxyphenyl)methoxy]phenyl]acetic acid;cyclohexanamine?
The InChIKey is SOKFQMHNVWTVDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18Cl2O4.C6H13N/c1-11(2)24-17-6-4-13(8-15(17)20)10-23-16-5-3-12(7-14(16)19)9-18(21)22;7-6-4-2-1-3-5-6/h3-8,11H,9-10H2,1-2H3,(H,21,22);6H,1-5,7H2.
What are the key properties of 2-[3-chloro-4-[(3-chloro-4-propan-2-yloxyphenyl)methoxy]phenyl]acetic acid;cyclohexanamine?
2-[3-chloro-4-[(3-chloro-4-propan-2-yloxyphenyl)methoxy]phenyl]acetic acid;cyclohexanamine has a molecular weight of 468.42 g/mol, XLogP of 6.26, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-chloro-4-[(3-chloro-4-propan-2-yloxyphenyl)methoxy]phenyl]acetic acid;cyclohexanamine is sourced from PubChem (CID 45052899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).