1-(2,4-dichlorophenyl)-3-(2,4-dimethoxyphenyl)pentan-1-ol

C19H22Cl2O3 — CID 11667808

IUPAC1-(2,4-dichlorophenyl)-3-(2,4-dimethoxyphenyl)pentan-1-ol
SMILESCCC(CC(O)c1ccc(Cl)cc1Cl)c1ccc(OC)cc1OC
InChIInChI=1S/C19H22Cl2O3/c1-4-12(15-8-6-14(23-2)11-19(15)24-3)9-18(22)16-7-5-13(20)10-17(16)21/h5-8,10-12,18,22H,4,9H2,1-3H3
InChIKeyBTRRMOPUAPVWKX-UHFFFAOYSA-N
MW369.29 g/mol
LogP5.63
Rot. Bonds7

About 1-(2,4-dichlorophenyl)-3-(2,4-dimethoxyphenyl)pentan-1-ol

1-(2,4-dichlorophenyl)-3-(2,4-dimethoxyphenyl)pentan-1-ol (PubChem CID 11667808) has the molecular formula C19H22Cl2O3 and a molecular weight of 369.29 g/mol. Its IUPAC name is 1-(2,4-dichlorophenyl)-3-(2,4-dimethoxyphenyl)pentan-1-ol.

Molecular Properties

Compound Name1-(2,4-dichlorophenyl)-3-(2,4-dimethoxyphenyl)pentan-1-ol
PubChem CID11667808
Molecular FormulaC19H22Cl2O3
Molecular Weight369.29 g/mol
Exact Mass368.09
IUPAC Name1-(2,4-dichlorophenyl)-3-(2,4-dimethoxyphenyl)pentan-1-ol
SMILESCCC(CC(O)c1ccc(Cl)cc1Cl)c1ccc(OC)cc1OC
InChIInChI=1S/C19H22Cl2O3/c1-4-12(15-8-6-14(23-2)11-19(15)24-3)9-18(22)16-7-5-13(20)10-17(16)21/h5-8,10-12,18,22H,4,9H2,1-3H3
InChIKeyBTRRMOPUAPVWKX-UHFFFAOYSA-N
XLogP5.63
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500369.29
LogP ≤ 55.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2,4-dichlorophenyl)-(2,4-dimethoxyphenyl)methanol
CID 61087695
3-(2,4-dichlorophenyl)-1-(2,4-dimethoxyphenyl)pentan-1-one
CID 11710376
1-(2,4-dimethoxyphenyl)-3-methylpentan-1-ol
CID 65150825
3-(2,4-dimethoxyphenyl)-1-(4-prop-2-enoxyphenyl)pentan-1-ol
CID 11681930
1-(4-chloro-2-methoxyphenyl)propan-1-ol
CID 115787726
1-amino-4-(2-chloro-4-methoxyphenyl)hexan-2-ol
CID 83942504
1-(2,4-dimethoxyphenyl)-3-methylhexan-1-ol
CID 65150827
2,4-dichloro-1-pentan-3-ylbenzene
CID 18711414
1-(4-chloro-2-methoxyphenyl)-3-methylhexan-1-ol
CID 115788971
(1R)-1-(4-chloro-2-methoxyphenyl)butan-1-ol
CID 106820012
1-(2-chloro-4-methoxyphenyl)decan-1-ol
CID 65427527
(2,5-dichlorophenyl)-(2,4-dimethoxyphenyl)methanamine
CID 43093792

Frequently Asked Questions

What is the IUPAC name of 1-(2,4-dichlorophenyl)-3-(2,4-dimethoxyphenyl)pentan-1-ol?
The IUPAC name of 1-(2,4-dichlorophenyl)-3-(2,4-dimethoxyphenyl)pentan-1-ol (CID 11667808) is 1-(2,4-dichlorophenyl)-3-(2,4-dimethoxyphenyl)pentan-1-ol.
What is the SMILES notation for 1-(2,4-dichlorophenyl)-3-(2,4-dimethoxyphenyl)pentan-1-ol?
The canonical SMILES for 1-(2,4-dichlorophenyl)-3-(2,4-dimethoxyphenyl)pentan-1-ol is CCC(CC(O)c1ccc(Cl)cc1Cl)c1ccc(OC)cc1OC.
What is the InChIKey of 1-(2,4-dichlorophenyl)-3-(2,4-dimethoxyphenyl)pentan-1-ol?
The InChIKey is BTRRMOPUAPVWKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22Cl2O3/c1-4-12(15-8-6-14(23-2)11-19(15)24-3)9-18(22)16-7-5-13(20)10-17(16)21/h5-8,10-12,18,22H,4,9H2,1-3H3.
What are the key properties of 1-(2,4-dichlorophenyl)-3-(2,4-dimethoxyphenyl)pentan-1-ol?
1-(2,4-dichlorophenyl)-3-(2,4-dimethoxyphenyl)pentan-1-ol has a molecular weight of 369.29 g/mol, XLogP of 5.63, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-dichlorophenyl)-3-(2,4-dimethoxyphenyl)pentan-1-ol is sourced from PubChem (CID 11667808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).