3-(3-cyclopropyloxyphenyl)-2-methylpentan-3-ol

C15H22O2 — CID 114520776

IUPAC3-(3-cyclopropyloxyphenyl)-2-methylpentan-3-ol
SMILESCCC(O)(c1cccc(OC2CC2)c1)C(C)C
InChIInChI=1S/C15H22O2/c1-4-15(16,11(2)3)12-6-5-7-14(10-12)17-13-8-9-13/h5-7,10-11,13,16H,4,8-9H2,1-3H3
InChIKeyMROXUCILVHYRAA-UHFFFAOYSA-N
MW234.34 g/mol
LogP3.48
Rot. Bonds5

About 3-(3-cyclopropyloxyphenyl)-2-methylpentan-3-ol

3-(3-cyclopropyloxyphenyl)-2-methylpentan-3-ol (PubChem CID 114520776) has the molecular formula C15H22O2 and a molecular weight of 234.34 g/mol. Its IUPAC name is 3-(3-cyclopropyloxyphenyl)-2-methylpentan-3-ol.

Molecular Properties

Compound Name3-(3-cyclopropyloxyphenyl)-2-methylpentan-3-ol
PubChem CID114520776
Molecular FormulaC15H22O2
Molecular Weight234.34 g/mol
Exact Mass234.16
IUPAC Name3-(3-cyclopropyloxyphenyl)-2-methylpentan-3-ol
SMILESCCC(O)(c1cccc(OC2CC2)c1)C(C)C
InChIInChI=1S/C15H22O2/c1-4-15(16,11(2)3)12-6-5-7-14(10-12)17-13-8-9-13/h5-7,10-11,13,16H,4,8-9H2,1-3H3
InChIKeyMROXUCILVHYRAA-UHFFFAOYSA-N
XLogP3.48
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.34
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-(3-methoxyphenyl)-2-methylpentan-3-ol;N-methylmethanamine
CID 68829384
1-(3-cyclopropyloxyphenyl)-1-phenylethanol
CID 114520749
4-(3-cyclopropyloxyphenyl)-N,4-dimethylpentan-2-amine
CID 114523014
1-(tert-butylamino)-2-(3-cyclopropyloxyphenyl)propan-2-ol
CID 114523447
4-amino-2-(3-cyclopropyloxyphenyl)butan-2-ol
CID 114523428
4-[1-(3-cyclopropyloxyphenyl)-1-hydroxyethyl]phenol
CID 114521016
1-(3-cyclopropyloxyphenyl)-1-(2-methylphenyl)ethanol
CID 114520751
1-(3-cyclopropyloxyphenyl)-2-hydroxy-2-methylbutan-1-one
CID 103446837
1-cyclobutyloxy-3-(trifluoromethyl)benzene
CID 124519367
3-[3-(1-hydroxyethoxy)phenyl]-2-methyl-1-(methylamino)pentan-3-ol
CID 142834798
1-(3-cyclopropyloxyphenyl)-2-methylbutan-1-one
CID 114521136
5-(dimethylamino)-3-(3-methoxyphenyl)-2-methylhexan-3-ol
CID 90977706

Frequently Asked Questions

What is the IUPAC name of 3-(3-cyclopropyloxyphenyl)-2-methylpentan-3-ol?
The IUPAC name of 3-(3-cyclopropyloxyphenyl)-2-methylpentan-3-ol (CID 114520776) is 3-(3-cyclopropyloxyphenyl)-2-methylpentan-3-ol.
What is the SMILES notation for 3-(3-cyclopropyloxyphenyl)-2-methylpentan-3-ol?
The canonical SMILES for 3-(3-cyclopropyloxyphenyl)-2-methylpentan-3-ol is CCC(O)(c1cccc(OC2CC2)c1)C(C)C.
What is the InChIKey of 3-(3-cyclopropyloxyphenyl)-2-methylpentan-3-ol?
The InChIKey is MROXUCILVHYRAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22O2/c1-4-15(16,11(2)3)12-6-5-7-14(10-12)17-13-8-9-13/h5-7,10-11,13,16H,4,8-9H2,1-3H3.
What are the key properties of 3-(3-cyclopropyloxyphenyl)-2-methylpentan-3-ol?
3-(3-cyclopropyloxyphenyl)-2-methylpentan-3-ol has a molecular weight of 234.34 g/mol, XLogP of 3.48, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-cyclopropyloxyphenyl)-2-methylpentan-3-ol is sourced from PubChem (CID 114520776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).