1-(4-methoxy-2-methylphenyl)-4,4-dimethylpentan-3-ol

C15H24O2 — CID 65316028

IUPAC1-(4-methoxy-2-methylphenyl)-4,4-dimethylpentan-3-ol
SMILESCOc1ccc(CCC(O)C(C)(C)C)c(C)c1
InChIInChI=1S/C15H24O2/c1-11-10-13(17-5)8-6-12(11)7-9-14(16)15(2,3)4/h6,8,10,14,16H,7,9H2,1-5H3
InChIKeyOYOJNMQIQYENHM-UHFFFAOYSA-N
MW236.35 g/mol
LogP3.34
Rot. Bonds4

About 1-(4-methoxy-2-methylphenyl)-4,4-dimethylpentan-3-ol

1-(4-methoxy-2-methylphenyl)-4,4-dimethylpentan-3-ol (PubChem CID 65316028) has the molecular formula C15H24O2 and a molecular weight of 236.35 g/mol. Its IUPAC name is 1-(4-methoxy-2-methylphenyl)-4,4-dimethylpentan-3-ol.

Molecular Properties

Compound Name1-(4-methoxy-2-methylphenyl)-4,4-dimethylpentan-3-ol
PubChem CID65316028
Molecular FormulaC15H24O2
Molecular Weight236.35 g/mol
Exact Mass236.18
IUPAC Name1-(4-methoxy-2-methylphenyl)-4,4-dimethylpentan-3-ol
SMILESCOc1ccc(CCC(O)C(C)(C)C)c(C)c1
InChIInChI=1S/C15H24O2/c1-11-10-13(17-5)8-6-12(11)7-9-14(16)15(2,3)4/h6,8,10,14,16H,7,9H2,1-5H3
InChIKeyOYOJNMQIQYENHM-UHFFFAOYSA-N
XLogP3.34
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.35
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4-methoxy-2-methylphenyl)hexane-3,4-diol
CID 83936503
1-(3-chloropentyl)-4-methoxy-2-methylbenzene
CID 65316392
(2R)-1-(4-methoxy-2-methylphenyl)propan-2-ol
CID 97009148
6-(4-methoxy-2-methylphenyl)-2-methylhexan-3-amine
CID 83936392
4-[3-[4-(3-hydroxy-4,4-dimethylpentyl)-3-methylphenyl]pentan-3-yl]phenol
CID 66891866
(3R)-4,4-dimethyl-1-[2-methyl-4-[3-(3-methyl-4-propoxyphenyl)pentan-3-yl]phenyl]pentan-3-ol
CID 91383126
4,4-dimethyl-1-[2-methyl-4-[3-(3-methyl-4-prop-2-enylphenyl)pentan-3-yl]phenyl]pentan-3-ol
CID 58598572
1-(2-fluoro-4-methoxyphenyl)-4-methylpentan-3-ol
CID 102878488
ethane;1-ethyl-4-methoxy-2-methylbenzene
CID 142129466
1-(3-bromo-2-methylpropyl)-4-methoxy-2-methylbenzene
CID 65316290
3-(4-methoxy-2-methylphenyl)-N-propan-2-ylpropan-1-amine
CID 65315961
carbanide;1-ethyl-4-methoxy-2-methylbenzene;yttrium
CID 161093717

Frequently Asked Questions

What is the IUPAC name of 1-(4-methoxy-2-methylphenyl)-4,4-dimethylpentan-3-ol?
The IUPAC name of 1-(4-methoxy-2-methylphenyl)-4,4-dimethylpentan-3-ol (CID 65316028) is 1-(4-methoxy-2-methylphenyl)-4,4-dimethylpentan-3-ol.
What is the SMILES notation for 1-(4-methoxy-2-methylphenyl)-4,4-dimethylpentan-3-ol?
The canonical SMILES for 1-(4-methoxy-2-methylphenyl)-4,4-dimethylpentan-3-ol is COc1ccc(CCC(O)C(C)(C)C)c(C)c1.
What is the InChIKey of 1-(4-methoxy-2-methylphenyl)-4,4-dimethylpentan-3-ol?
The InChIKey is OYOJNMQIQYENHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24O2/c1-11-10-13(17-5)8-6-12(11)7-9-14(16)15(2,3)4/h6,8,10,14,16H,7,9H2,1-5H3.
What are the key properties of 1-(4-methoxy-2-methylphenyl)-4,4-dimethylpentan-3-ol?
1-(4-methoxy-2-methylphenyl)-4,4-dimethylpentan-3-ol has a molecular weight of 236.35 g/mol, XLogP of 3.34, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methoxy-2-methylphenyl)-4,4-dimethylpentan-3-ol is sourced from PubChem (CID 65316028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).