3-methyl-1-phenoxypentan-3-ol

C12H18O2 — CID 139819683

IUPAC3-methyl-1-phenoxypentan-3-ol
SMILESCCC(C)(O)CCOc1ccccc1
InChIInChI=1S/C12H18O2/c1-3-12(2,13)9-10-14-11-7-5-4-6-8-11/h4-8,13H,3,9-10H2,1-2H3
InChIKeyLUDRQTMOTNXYCS-UHFFFAOYSA-N
MW194.27 g/mol
LogP2.62
Rot. Bonds5

About 3-methyl-1-phenoxypentan-3-ol

3-methyl-1-phenoxypentan-3-ol (PubChem CID 139819683) has the molecular formula C12H18O2 and a molecular weight of 194.27 g/mol. Its IUPAC name is 3-methyl-1-phenoxypentan-3-ol.

Molecular Properties

Compound Name3-methyl-1-phenoxypentan-3-ol
PubChem CID139819683
Molecular FormulaC12H18O2
Molecular Weight194.27 g/mol
Exact Mass194.13
IUPAC Name3-methyl-1-phenoxypentan-3-ol
SMILESCCC(C)(O)CCOc1ccccc1
InChIInChI=1S/C12H18O2/c1-3-12(2,13)9-10-14-11-7-5-4-6-8-11/h4-8,13H,3,9-10H2,1-2H3
InChIKeyLUDRQTMOTNXYCS-UHFFFAOYSA-N
XLogP2.62
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.27
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2,2-dimethyl-4-phenoxybutan-1-ol
CID 66024282
1-amino-2-methyl-5-phenoxypentan-2-ol
CID 64814632
bis(2-methylbutan-2-yl)-(2-phenoxyethyl)phosphane
CID 139972833
2-(2-phenoxyethoxy)pentan-2-ol
CID 141202879
2-ethyl-2-methyl-5-phenoxypentan-1-ol
CID 66059804
(2,2-dimethyl-4-phenoxybutyl)benzene
CID 145278687
2,2-dimethyl-4-phenoxybutanenitrile
CID 65251813
2-methyl-2-(2-phenoxyethyl)pentan-1-amine
CID 62726316
2-methyl-4-(4-phenylmethoxyphenoxy)butan-2-ol
CID 79353304
3,4-dimethyl-1-phenoxyhexan-3-amine
CID 115001414
N-(2-hydroxy-2-methylbutyl)-2-phenoxyacetamide
CID 65114465
2-ethyl-2-methyl-4-phenoxy-N-propan-2-ylbutan-1-amine
CID 62724275

Frequently Asked Questions

What is the IUPAC name of 3-methyl-1-phenoxypentan-3-ol?
The IUPAC name of 3-methyl-1-phenoxypentan-3-ol (CID 139819683) is 3-methyl-1-phenoxypentan-3-ol.
What is the SMILES notation for 3-methyl-1-phenoxypentan-3-ol?
The canonical SMILES for 3-methyl-1-phenoxypentan-3-ol is CCC(C)(O)CCOc1ccccc1.
What is the InChIKey of 3-methyl-1-phenoxypentan-3-ol?
The InChIKey is LUDRQTMOTNXYCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18O2/c1-3-12(2,13)9-10-14-11-7-5-4-6-8-11/h4-8,13H,3,9-10H2,1-2H3.
What are the key properties of 3-methyl-1-phenoxypentan-3-ol?
3-methyl-1-phenoxypentan-3-ol has a molecular weight of 194.27 g/mol, XLogP of 2.62, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1-phenoxypentan-3-ol is sourced from PubChem (CID 139819683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).