(2R)-4-cyclopentyl-1-(3-methylphenoxy)butan-2-ol

C16H24O2 — CID 161303338

IUPAC(2R)-4-cyclopentyl-1-(3-methylphenoxy)butan-2-ol
SMILESCc1cccc(OC[C@H](O)CCC2CCCC2)c1
InChIInChI=1S/C16H24O2/c1-13-5-4-8-16(11-13)18-12-15(17)10-9-14-6-2-3-7-14/h4-5,8,11,14-15,17H,2-3,6-7,9-10,12H2,1H3/t15-/m1/s1
InChIKeyVHXJKQURNFVJCS-OAHLLOKOSA-N
MW248.37 g/mol
LogP3.71
Rot. Bonds6

About (2R)-4-cyclopentyl-1-(3-methylphenoxy)butan-2-ol

(2R)-4-cyclopentyl-1-(3-methylphenoxy)butan-2-ol (PubChem CID 161303338) has the molecular formula C16H24O2 and a molecular weight of 248.37 g/mol. Its IUPAC name is (2R)-4-cyclopentyl-1-(3-methylphenoxy)butan-2-ol.

Molecular Properties

Compound Name(2R)-4-cyclopentyl-1-(3-methylphenoxy)butan-2-ol
PubChem CID161303338
Molecular FormulaC16H24O2
Molecular Weight248.37 g/mol
Exact Mass248.18
IUPAC Name(2R)-4-cyclopentyl-1-(3-methylphenoxy)butan-2-ol
SMILESCc1cccc(OC[C@H](O)CCC2CCCC2)c1
InChIInChI=1S/C16H24O2/c1-13-5-4-8-16(11-13)18-12-15(17)10-9-14-6-2-3-7-14/h4-5,8,11,14-15,17H,2-3,6-7,9-10,12H2,1H3/t15-/m1/s1
InChIKeyVHXJKQURNFVJCS-OAHLLOKOSA-N
XLogP3.71
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.37
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3-methylphenoxy)butan-2-ol
CID 13089920
4-methoxy-1-(3-methylphenoxy)butan-2-ol
CID 117236744
1-cyclobutyl-2-(3-methylphenoxy)ethanol
CID 117245576
4-cyclopentyl-1-(3-methylphenyl)butan-2-ol
CID 55149919
1-(2,6-dimethylpiperidin-1-yl)-3-(3-methylphenoxy)propan-2-ol
CID 4728819
1-[(4-ethylcyclohexyl)amino]-3-(3-methylphenoxy)propan-2-ol
CID 60970383
1-(3-methylphenoxy)-3-(3-pyrrolidin-1-ylpiperidin-1-yl)propan-2-ol
CID 110898554
(2S)-1-[4-[(2S)-2-hydroxy-3-(3-methylphenoxy)propyl]piperazin-1-yl]-3-(3-methylphenoxy)propan-2-ol
CID 1119168
1-(3-bromophenoxy)-3-cyclopentylpropan-2-ol
CID 103160598
2-cyclohexyl-3-(3-methylphenoxy)propanoic acid
CID 117246044
1-(3-methylphenoxy)-3-[2-(oxolan-2-yl)ethylamino]propan-2-ol
CID 61039860
1-[methyl(oxan-2-ylmethyl)amino]-3-(3-methylphenoxy)propan-2-ol
CID 110902606

Frequently Asked Questions

What is the IUPAC name of (2R)-4-cyclopentyl-1-(3-methylphenoxy)butan-2-ol?
The IUPAC name of (2R)-4-cyclopentyl-1-(3-methylphenoxy)butan-2-ol (CID 161303338) is (2R)-4-cyclopentyl-1-(3-methylphenoxy)butan-2-ol.
What is the SMILES notation for (2R)-4-cyclopentyl-1-(3-methylphenoxy)butan-2-ol?
The canonical SMILES for (2R)-4-cyclopentyl-1-(3-methylphenoxy)butan-2-ol is Cc1cccc(OC[C@H](O)CCC2CCCC2)c1.
What is the InChIKey of (2R)-4-cyclopentyl-1-(3-methylphenoxy)butan-2-ol?
The InChIKey is VHXJKQURNFVJCS-OAHLLOKOSA-N. The full InChI is InChI=1S/C16H24O2/c1-13-5-4-8-16(11-13)18-12-15(17)10-9-14-6-2-3-7-14/h4-5,8,11,14-15,17H,2-3,6-7,9-10,12H2,1H3/t15-/m1/s1.
What are the key properties of (2R)-4-cyclopentyl-1-(3-methylphenoxy)butan-2-ol?
(2R)-4-cyclopentyl-1-(3-methylphenoxy)butan-2-ol has a molecular weight of 248.37 g/mol, XLogP of 3.71, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-4-cyclopentyl-1-(3-methylphenoxy)butan-2-ol is sourced from PubChem (CID 161303338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).