3-(4-chlorophenyl)-2-methoxy-2-methylpropan-1-ol

C11H15ClO2 — CID 105468174

IUPAC3-(4-chlorophenyl)-2-methoxy-2-methylpropan-1-ol
SMILESCOC(C)(CO)Cc1ccc(Cl)cc1
InChIInChI=1S/C11H15ClO2/c1-11(8-13,14-2)7-9-3-5-10(12)6-4-9/h3-6,13H,7-8H2,1-2H3
InChIKeyPLVYGFQPTFNTHF-UHFFFAOYSA-N
MW214.69 g/mol
LogP2.28
Rot. Bonds4

About 3-(4-chlorophenyl)-2-methoxy-2-methylpropan-1-ol

3-(4-chlorophenyl)-2-methoxy-2-methylpropan-1-ol (PubChem CID 105468174) has the molecular formula C11H15ClO2 and a molecular weight of 214.69 g/mol. Its IUPAC name is 3-(4-chlorophenyl)-2-methoxy-2-methylpropan-1-ol.

Molecular Properties

Compound Name3-(4-chlorophenyl)-2-methoxy-2-methylpropan-1-ol
PubChem CID105468174
Molecular FormulaC11H15ClO2
Molecular Weight214.69 g/mol
Exact Mass214.08
IUPAC Name3-(4-chlorophenyl)-2-methoxy-2-methylpropan-1-ol
SMILESCOC(C)(CO)Cc1ccc(Cl)cc1
InChIInChI=1S/C11H15ClO2/c1-11(8-13,14-2)7-9-3-5-10(12)6-4-9/h3-6,13H,7-8H2,1-2H3
InChIKeyPLVYGFQPTFNTHF-UHFFFAOYSA-N
XLogP2.28
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.69
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[(4-chlorophenyl)methyl]-2-fluoropropane-1,3-diol
CID 122239719
1-chloro-4-(2-chloro-2-methylpropyl)benzene
CID 82026569
1-chloro-4-(2-methoxy-2-phenylpropyl)benzene
CID 132540002
2-[[1-(4-chlorophenyl)-2-methylpropan-2-yl]-methylamino]ethanol
CID 110174748
(2S)-3-(4-chlorophenyl)-2-hydroxy-2-methylpropanoic acid
CID 130693679
(2R)-2-(4-chlorophenyl)-2-[(4-methoxyphenyl)methyl]but-3-en-1-ol
CID 164675939
2-[(4-chlorophenyl)methyl]-2-(2-methylphenyl)propane-1,3-diol
CID 79450494
1-(4-chlorophenyl)-4-methoxy-4-methylpentan-2-one
CID 103023041
methyl 4-(4-chlorophenyl)-3-hydroxy-3-methyl-2-propan-2-ylbutanoate
CID 114081535
tert-butyl (2S)-2-amino-3-(4-chlorophenyl)-2-methylpropanoate
CID 15433370
1-(4-chlorophenyl)-2,3-dimethylpentan-2-ol
CID 60918368
3-(4-chlorophenyl)-2-fluoro-2-methylpropan-1-amine
CID 84721389

Frequently Asked Questions

What is the IUPAC name of 3-(4-chlorophenyl)-2-methoxy-2-methylpropan-1-ol?
The IUPAC name of 3-(4-chlorophenyl)-2-methoxy-2-methylpropan-1-ol (CID 105468174) is 3-(4-chlorophenyl)-2-methoxy-2-methylpropan-1-ol.
What is the SMILES notation for 3-(4-chlorophenyl)-2-methoxy-2-methylpropan-1-ol?
The canonical SMILES for 3-(4-chlorophenyl)-2-methoxy-2-methylpropan-1-ol is COC(C)(CO)Cc1ccc(Cl)cc1.
What is the InChIKey of 3-(4-chlorophenyl)-2-methoxy-2-methylpropan-1-ol?
The InChIKey is PLVYGFQPTFNTHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15ClO2/c1-11(8-13,14-2)7-9-3-5-10(12)6-4-9/h3-6,13H,7-8H2,1-2H3.
What are the key properties of 3-(4-chlorophenyl)-2-methoxy-2-methylpropan-1-ol?
3-(4-chlorophenyl)-2-methoxy-2-methylpropan-1-ol has a molecular weight of 214.69 g/mol, XLogP of 2.28, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-chlorophenyl)-2-methoxy-2-methylpropan-1-ol is sourced from PubChem (CID 105468174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).