1-(4-methoxyphenyl)-3,4,4-trimethylpentan-1-ol

C15H24O2 — CID 63832253

IUPAC1-(4-methoxyphenyl)-3,4,4-trimethylpentan-1-ol
SMILESCOc1ccc(C(O)CC(C)C(C)(C)C)cc1
InChIInChI=1S/C15H24O2/c1-11(15(2,3)4)10-14(16)12-6-8-13(17-5)9-7-12/h6-9,11,14,16H,10H2,1-5H3
InChIKeyOLRDNJFMHOYBAE-UHFFFAOYSA-N
MW236.36 g/mol
LogP3.80
Rot. Bonds4

About 1-(4-methoxyphenyl)-3,4,4-trimethylpentan-1-ol

1-(4-methoxyphenyl)-3,4,4-trimethylpentan-1-ol (PubChem CID 63832253) has the molecular formula C15H24O2 and a molecular weight of 236.36 g/mol. Its IUPAC name is 1-(4-methoxyphenyl)-3,4,4-trimethylpentan-1-ol.

Molecular Properties

Compound Name1-(4-methoxyphenyl)-3,4,4-trimethylpentan-1-ol
PubChem CID63832253
Molecular FormulaC15H24O2
Molecular Weight236.36 g/mol
Exact Mass236.18
IUPAC Name1-(4-methoxyphenyl)-3,4,4-trimethylpentan-1-ol
SMILESCOc1ccc(C(O)CC(C)C(C)(C)C)cc1
InChIInChI=1S/C15H24O2/c1-11(15(2,3)4)10-14(16)12-6-8-13(17-5)9-7-12/h6-9,11,14,16H,10H2,1-5H3
InChIKeyOLRDNJFMHOYBAE-UHFFFAOYSA-N
XLogP3.80
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.36
LogP ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(1R,3S)-1-(4-methoxyphenyl)butane-1,3-diol
CID 101493823
3-amino-1-(4-methoxyphenyl)butan-1-ol
CID 81462602
1-(4-methoxyphenyl)-3,5-dimethylhexan-1-ol
CID 114200447
(1R)-3,3-dimethoxy-1-(4-methoxyphenyl)propan-1-ol
CID 11572126
2-(3,3-dimethylbutan-2-ylamino)-1-(4-methoxyphenyl)ethanol
CID 111333995
3-methoxy-1-(4-methoxyphenyl)-3-methylbutan-1-ol
CID 103027413
3-ethyl-1-(4-methoxyphenyl)pentan-1-ol
CID 82920608
1-(4-methoxyphenyl)(213C)ethane-1,2-diol
CID 101170566
(1R,3S)-3-amino-4,4,4-trifluoro-1-(4-methoxyphenyl)butan-1-ol
CID 171236930
1-(4-methoxyphenyl)-4-methylpentan-1-ol
CID 61101415
(1S,3R)-3-amino-1-(4-methoxyphenyl)butane-1,4-diol
CID 121237727
2-chloro-1-(4-methoxyphenyl)ethanol
CID 12862876

Frequently Asked Questions

What is the IUPAC name of 1-(4-methoxyphenyl)-3,4,4-trimethylpentan-1-ol?
The IUPAC name of 1-(4-methoxyphenyl)-3,4,4-trimethylpentan-1-ol (CID 63832253) is 1-(4-methoxyphenyl)-3,4,4-trimethylpentan-1-ol.
What is the SMILES notation for 1-(4-methoxyphenyl)-3,4,4-trimethylpentan-1-ol?
The canonical SMILES for 1-(4-methoxyphenyl)-3,4,4-trimethylpentan-1-ol is COc1ccc(C(O)CC(C)C(C)(C)C)cc1.
What is the InChIKey of 1-(4-methoxyphenyl)-3,4,4-trimethylpentan-1-ol?
The InChIKey is OLRDNJFMHOYBAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24O2/c1-11(15(2,3)4)10-14(16)12-6-8-13(17-5)9-7-12/h6-9,11,14,16H,10H2,1-5H3.
What are the key properties of 1-(4-methoxyphenyl)-3,4,4-trimethylpentan-1-ol?
1-(4-methoxyphenyl)-3,4,4-trimethylpentan-1-ol has a molecular weight of 236.36 g/mol, XLogP of 3.80, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methoxyphenyl)-3,4,4-trimethylpentan-1-ol is sourced from PubChem (CID 63832253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).