[4-(cyclopentylsulfonylmethyl)phenyl]methanol

C13H18O3S — CID 110004765

IUPAC[4-(cyclopentylsulfonylmethyl)phenyl]methanol
SMILESO=S(=O)(Cc1ccc(CO)cc1)C1CCCC1
InChIInChI=1S/C13H18O3S/c14-9-11-5-7-12(8-6-11)10-17(15,16)13-3-1-2-4-13/h5-8,13-14H,1-4,9-10H2
InChIKeyDNZKFYRBBVJJCC-UHFFFAOYSA-N
MW254.35 g/mol
LogP2.04
Rot. Bonds4

About [4-(cyclopentylsulfonylmethyl)phenyl]methanol

[4-(cyclopentylsulfonylmethyl)phenyl]methanol (PubChem CID 110004765) has the molecular formula C13H18O3S and a molecular weight of 254.35 g/mol. Its IUPAC name is [4-(cyclopentylsulfonylmethyl)phenyl]methanol.

Molecular Properties

Compound Name[4-(cyclopentylsulfonylmethyl)phenyl]methanol
PubChem CID110004765
Molecular FormulaC13H18O3S
Molecular Weight254.35 g/mol
Exact Mass254.10
IUPAC Name[4-(cyclopentylsulfonylmethyl)phenyl]methanol
SMILESO=S(=O)(Cc1ccc(CO)cc1)C1CCCC1
InChIInChI=1S/C13H18O3S/c14-9-11-5-7-12(8-6-11)10-17(15,16)13-3-1-2-4-13/h5-8,13-14H,1-4,9-10H2
InChIKeyDNZKFYRBBVJJCC-UHFFFAOYSA-N
XLogP2.04
TPSA54.37 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.35
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[4-(cyclohexylsulfonylmethyl)phenyl]acetic acid
CID 105345572
5-(cyclohexylsulfonylmethyl)-2-fluoropyridine
CID 167968231
methyl 5-(cyclohexylsulfonylmethyl)-2-methylbenzoate
CID 167851587
2-[2-(cyclopentylsulfonylmethyl)phenyl]acetic acid
CID 113314460
[4-[[(3-methylsulfonylcyclohexyl)amino]methyl]phenyl]methanol
CID 107230919
4-(azetidin-3-ylsulfonylmethyl)phenol
CID 115070287
3-(cyclopentylsulfonylmethyl)-5-fluoroaniline
CID 112648355
[2-(cyclopentylsulfonylmethyl)phenyl]methanamine
CID 64696628
cis-(1R,2S)-2-benzylsulfonylcyclohexan-1-ol
CID 6922943
[3-(cyclohexylsulfonylmethyl)-4-fluorophenyl]methanamine
CID 64696603
1-amino-N-[3-(cyclohexylsulfonylmethyl)phenyl]cyclopropane-1-carboxamide
CID 119784532
3-(cyclohexylsulfonylmethyl)-5-fluoroaniline
CID 112648336

Frequently Asked Questions

What is the IUPAC name of [4-(cyclopentylsulfonylmethyl)phenyl]methanol?
The IUPAC name of [4-(cyclopentylsulfonylmethyl)phenyl]methanol (CID 110004765) is [4-(cyclopentylsulfonylmethyl)phenyl]methanol.
What is the SMILES notation for [4-(cyclopentylsulfonylmethyl)phenyl]methanol?
The canonical SMILES for [4-(cyclopentylsulfonylmethyl)phenyl]methanol is O=S(=O)(Cc1ccc(CO)cc1)C1CCCC1.
What is the InChIKey of [4-(cyclopentylsulfonylmethyl)phenyl]methanol?
The InChIKey is DNZKFYRBBVJJCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18O3S/c14-9-11-5-7-12(8-6-11)10-17(15,16)13-3-1-2-4-13/h5-8,13-14H,1-4,9-10H2.
What are the key properties of [4-(cyclopentylsulfonylmethyl)phenyl]methanol?
[4-(cyclopentylsulfonylmethyl)phenyl]methanol has a molecular weight of 254.35 g/mol, XLogP of 2.04, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(cyclopentylsulfonylmethyl)phenyl]methanol is sourced from PubChem (CID 110004765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).