1-(4-chlorophenyl)-4-methoxy-4-methylpentan-1-ol

C13H19ClO2 — CID 103028171

IUPAC1-(4-chlorophenyl)-4-methoxy-4-methylpentan-1-ol
SMILESCOC(C)(C)CCC(O)c1ccc(Cl)cc1
InChIInChI=1S/C13H19ClO2/c1-13(2,16-3)9-8-12(15)10-4-6-11(14)7-5-10/h4-7,12,15H,8-9H2,1-3H3
InChIKeyNIBRZNIOOGTNEE-UHFFFAOYSA-N
MW242.75 g/mol
LogP3.58
Rot. Bonds5

About 1-(4-chlorophenyl)-4-methoxy-4-methylpentan-1-ol

1-(4-chlorophenyl)-4-methoxy-4-methylpentan-1-ol (PubChem CID 103028171) has the molecular formula C13H19ClO2 and a molecular weight of 242.75 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-4-methoxy-4-methylpentan-1-ol.

Molecular Properties

Compound Name1-(4-chlorophenyl)-4-methoxy-4-methylpentan-1-ol
PubChem CID103028171
Molecular FormulaC13H19ClO2
Molecular Weight242.75 g/mol
Exact Mass242.11
IUPAC Name1-(4-chlorophenyl)-4-methoxy-4-methylpentan-1-ol
SMILESCOC(C)(C)CCC(O)c1ccc(Cl)cc1
InChIInChI=1S/C13H19ClO2/c1-13(2,16-3)9-8-12(15)10-4-6-11(14)7-5-10/h4-7,12,15H,8-9H2,1-3H3
InChIKeyNIBRZNIOOGTNEE-UHFFFAOYSA-N
XLogP3.58
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.75
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4-chlorophenyl)-3-methoxy-3-methylbutan-1-ol
CID 103027660
4-methoxy-1-(4-methoxyphenyl)-4-methylpentan-1-ol
CID 103028229
4-methoxy-4-methyl-1-phenylpentan-1-ol
CID 103028375
1-(3-chloro-4-methoxyphenyl)-4-methoxy-4-methylpentan-1-ol
CID 103035148
1-(3-chloro-5-fluorophenyl)-4-methoxy-4-methylpentan-1-ol
CID 103035286
4-methoxy-1-(6-methoxy-3-pyridinyl)-4-methylpentan-1-ol
CID 103035297
1-(5-chlorothiophen-2-yl)-4-methoxy-4-methylpentan-1-ol
CID 103028130
1-(3-aminophenyl)-4-methoxy-4-methylpentan-1-ol
CID 106695946
1-(4-chlorophenyl)-3-fluoropropan-1-ol
CID 146533212
2-(4-chlorophenyl)-5-methoxy-5-methyl-N-(2-methylpropyl)hexan-1-amine
CID 103036902
[5-hydroxy-5-[4-(1-hydroxy-4-methyl-4-phosphonooxypentyl)phenyl]-2-methylpentan-2-yl] dihydrogen phosphate
CID 59659527
1-(5-bromothiophen-3-yl)-4-methoxy-4-methylpentan-1-ol
CID 103028428

Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-4-methoxy-4-methylpentan-1-ol?
The IUPAC name of 1-(4-chlorophenyl)-4-methoxy-4-methylpentan-1-ol (CID 103028171) is 1-(4-chlorophenyl)-4-methoxy-4-methylpentan-1-ol.
What is the SMILES notation for 1-(4-chlorophenyl)-4-methoxy-4-methylpentan-1-ol?
The canonical SMILES for 1-(4-chlorophenyl)-4-methoxy-4-methylpentan-1-ol is COC(C)(C)CCC(O)c1ccc(Cl)cc1.
What is the InChIKey of 1-(4-chlorophenyl)-4-methoxy-4-methylpentan-1-ol?
The InChIKey is NIBRZNIOOGTNEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19ClO2/c1-13(2,16-3)9-8-12(15)10-4-6-11(14)7-5-10/h4-7,12,15H,8-9H2,1-3H3.
What are the key properties of 1-(4-chlorophenyl)-4-methoxy-4-methylpentan-1-ol?
1-(4-chlorophenyl)-4-methoxy-4-methylpentan-1-ol has a molecular weight of 242.75 g/mol, XLogP of 3.58, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-4-methoxy-4-methylpentan-1-ol is sourced from PubChem (CID 103028171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).