1-(3-chloro-4-methoxyphenyl)-4-methoxy-4-methylpentan-1-ol

C14H21ClO3 — CID 103035148

IUPAC1-(3-chloro-4-methoxyphenyl)-4-methoxy-4-methylpentan-1-ol
SMILESCOc1ccc(C(O)CCC(C)(C)OC)cc1Cl
InChIInChI=1S/C14H21ClO3/c1-14(2,18-4)8-7-12(16)10-5-6-13(17-3)11(15)9-10/h5-6,9,12,16H,7-8H2,1-4H3
InChIKeyPPHFQRLJGHSMNM-UHFFFAOYSA-N
MW272.77 g/mol
LogP3.59
Rot. Bonds6

About 1-(3-chloro-4-methoxyphenyl)-4-methoxy-4-methylpentan-1-ol

1-(3-chloro-4-methoxyphenyl)-4-methoxy-4-methylpentan-1-ol (PubChem CID 103035148) has the molecular formula C14H21ClO3 and a molecular weight of 272.77 g/mol. Its IUPAC name is 1-(3-chloro-4-methoxyphenyl)-4-methoxy-4-methylpentan-1-ol.

Molecular Properties

Compound Name1-(3-chloro-4-methoxyphenyl)-4-methoxy-4-methylpentan-1-ol
PubChem CID103035148
Molecular FormulaC14H21ClO3
Molecular Weight272.77 g/mol
Exact Mass272.12
IUPAC Name1-(3-chloro-4-methoxyphenyl)-4-methoxy-4-methylpentan-1-ol
SMILESCOc1ccc(C(O)CCC(C)(C)OC)cc1Cl
InChIInChI=1S/C14H21ClO3/c1-14(2,18-4)8-7-12(16)10-5-6-13(17-3)11(15)9-10/h5-6,9,12,16H,7-8H2,1-4H3
InChIKeyPPHFQRLJGHSMNM-UHFFFAOYSA-N
XLogP3.59
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.77
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-chlorophenyl)-4-methoxy-4-methylpentan-1-ol
CID 103028171
4-methoxy-1-(4-methoxyphenyl)-4-methylpentan-1-ol
CID 103028229
1-(3-chloro-4-methoxyphenyl)-5-methylheptan-1-ol
CID 167489214
1-(3-aminophenyl)-4-methoxy-4-methylpentan-1-ol
CID 106695946
4-methoxy-4-methyl-1-phenylpentan-1-ol
CID 103028375
4-methoxy-4-methyl-1-(2,3,4-trimethoxyphenyl)pentan-1-ol
CID 103028273
1-(3-chloro-5-fluorophenyl)-4-methoxy-4-methylpentan-1-ol
CID 103035286
[1-(3,4-dichlorophenyl)-4-methoxy-4-methylpentyl]hydrazine
CID 103026283
4-methoxy-1-(6-methoxy-3-pyridinyl)-4-methylpentan-1-ol
CID 103035297
1-(3-chloro-4-methoxyphenyl)-2-pyrrolidin-1-ylethanol
CID 82120406
(1R,2S)-1-(3-chloro-4-methoxyphenyl)propane-1,2-diol
CID 10353281
1,6-bis(3,4-dimethoxyphenyl)hexane-1,6-diol
CID 118987415

Frequently Asked Questions

What is the IUPAC name of 1-(3-chloro-4-methoxyphenyl)-4-methoxy-4-methylpentan-1-ol?
The IUPAC name of 1-(3-chloro-4-methoxyphenyl)-4-methoxy-4-methylpentan-1-ol (CID 103035148) is 1-(3-chloro-4-methoxyphenyl)-4-methoxy-4-methylpentan-1-ol.
What is the SMILES notation for 1-(3-chloro-4-methoxyphenyl)-4-methoxy-4-methylpentan-1-ol?
The canonical SMILES for 1-(3-chloro-4-methoxyphenyl)-4-methoxy-4-methylpentan-1-ol is COc1ccc(C(O)CCC(C)(C)OC)cc1Cl.
What is the InChIKey of 1-(3-chloro-4-methoxyphenyl)-4-methoxy-4-methylpentan-1-ol?
The InChIKey is PPHFQRLJGHSMNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21ClO3/c1-14(2,18-4)8-7-12(16)10-5-6-13(17-3)11(15)9-10/h5-6,9,12,16H,7-8H2,1-4H3.
What are the key properties of 1-(3-chloro-4-methoxyphenyl)-4-methoxy-4-methylpentan-1-ol?
1-(3-chloro-4-methoxyphenyl)-4-methoxy-4-methylpentan-1-ol has a molecular weight of 272.77 g/mol, XLogP of 3.59, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chloro-4-methoxyphenyl)-4-methoxy-4-methylpentan-1-ol is sourced from PubChem (CID 103035148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).