2-(2-methoxy-5-pentan-3-ylphenyl)-2-methylpropan-1-ol

C16H26O2 — CID 117379898

IUPAC2-(2-methoxy-5-pentan-3-ylphenyl)-2-methylpropan-1-ol
SMILESCCC(CC)c1ccc(OC)c(C(C)(C)CO)c1
InChIInChI=1S/C16H26O2/c1-6-12(7-2)13-8-9-15(18-5)14(10-13)16(3,4)11-17/h8-10,12,17H,6-7,11H2,1-5H3
InChIKeyAEJPNHYVVSINCB-UHFFFAOYSA-N
MW250.38 g/mol
LogP3.87
Rot. Bonds6

About 2-(2-methoxy-5-pentan-3-ylphenyl)-2-methylpropan-1-ol

2-(2-methoxy-5-pentan-3-ylphenyl)-2-methylpropan-1-ol (PubChem CID 117379898) has the molecular formula C16H26O2 and a molecular weight of 250.38 g/mol. Its IUPAC name is 2-(2-methoxy-5-pentan-3-ylphenyl)-2-methylpropan-1-ol.

Molecular Properties

Compound Name2-(2-methoxy-5-pentan-3-ylphenyl)-2-methylpropan-1-ol
PubChem CID117379898
Molecular FormulaC16H26O2
Molecular Weight250.38 g/mol
Exact Mass250.19
IUPAC Name2-(2-methoxy-5-pentan-3-ylphenyl)-2-methylpropan-1-ol
SMILESCCC(CC)c1ccc(OC)c(C(C)(C)CO)c1
InChIInChI=1S/C16H26O2/c1-6-12(7-2)13-8-9-15(18-5)14(10-13)16(3,4)11-17/h8-10,12,17H,6-7,11H2,1-5H3
InChIKeyAEJPNHYVVSINCB-UHFFFAOYSA-N
XLogP3.87
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.38
LogP ≤ 53.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[5-(difluoromethyl)-2-methoxyphenyl]-2-methylpropan-1-ol
CID 117332377
2-(2-methoxy-5-pentan-3-ylphenyl)propan-2-amine
CID 117343688
3-(3-tert-butyl-4-methoxyphenyl)pentanoic acid
CID 112501948
2-[4-(difluoromethyl)-2-methoxyphenyl]-2-methylpropan-1-ol
CID 117332372
2-[2-methoxy-5-(trifluoromethyl)phenyl]-2-methylpropan-1-ol
CID 117373100
2-(3-tert-butyl-4-methoxyphenyl)-2-methylpropan-1-ol
CID 82129591
2-(3-methoxy-4-methylphenyl)butan-1-ol
CID 139504441
1-(3-tert-butyl-4-methoxyphenyl)propan-1-amine
CID 82048896
2-(1-bromo-2-methylpropan-2-yl)-1-methoxy-4-propan-2-ylbenzene
CID 82094101
2-methoxy-5-pentan-3-ylbenzonitrile
CID 117291789
3-(3,4-dimethoxyphenyl)pentane-1,5-diol
CID 15691833
3-[5-(1-fluoroethyl)-2-methoxyphenyl]-3-methylbutanoic acid
CID 117389154

Frequently Asked Questions

What is the IUPAC name of 2-(2-methoxy-5-pentan-3-ylphenyl)-2-methylpropan-1-ol?
The IUPAC name of 2-(2-methoxy-5-pentan-3-ylphenyl)-2-methylpropan-1-ol (CID 117379898) is 2-(2-methoxy-5-pentan-3-ylphenyl)-2-methylpropan-1-ol.
What is the SMILES notation for 2-(2-methoxy-5-pentan-3-ylphenyl)-2-methylpropan-1-ol?
The canonical SMILES for 2-(2-methoxy-5-pentan-3-ylphenyl)-2-methylpropan-1-ol is CCC(CC)c1ccc(OC)c(C(C)(C)CO)c1.
What is the InChIKey of 2-(2-methoxy-5-pentan-3-ylphenyl)-2-methylpropan-1-ol?
The InChIKey is AEJPNHYVVSINCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26O2/c1-6-12(7-2)13-8-9-15(18-5)14(10-13)16(3,4)11-17/h8-10,12,17H,6-7,11H2,1-5H3.
What are the key properties of 2-(2-methoxy-5-pentan-3-ylphenyl)-2-methylpropan-1-ol?
2-(2-methoxy-5-pentan-3-ylphenyl)-2-methylpropan-1-ol has a molecular weight of 250.38 g/mol, XLogP of 3.87, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methoxy-5-pentan-3-ylphenyl)-2-methylpropan-1-ol is sourced from PubChem (CID 117379898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).