(3-pentylsulfanylphenyl)methanol

C12H18OS — CID 66347769

IUPAC(3-pentylsulfanylphenyl)methanol
SMILESCCCCCSc1cccc(CO)c1
InChIInChI=1S/C12H18OS/c1-2-3-4-8-14-12-7-5-6-11(9-12)10-13/h5-7,9,13H,2-4,8,10H2,1H3
InChIKeySLLVIUDCNQXVCM-UHFFFAOYSA-N
MW210.34 g/mol
LogP3.46
Rot. Bonds6

About (3-pentylsulfanylphenyl)methanol

(3-pentylsulfanylphenyl)methanol (PubChem CID 66347769) has the molecular formula C12H18OS and a molecular weight of 210.34 g/mol. Its IUPAC name is (3-pentylsulfanylphenyl)methanol.

Molecular Properties

Compound Name(3-pentylsulfanylphenyl)methanol
PubChem CID66347769
Molecular FormulaC12H18OS
Molecular Weight210.34 g/mol
Exact Mass210.11
IUPAC Name(3-pentylsulfanylphenyl)methanol
SMILESCCCCCSc1cccc(CO)c1
InChIInChI=1S/C12H18OS/c1-2-3-4-8-14-12-7-5-6-11(9-12)10-13/h5-7,9,13H,2-4,8,10H2,1H3
InChIKeySLLVIUDCNQXVCM-UHFFFAOYSA-N
XLogP3.46
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.34
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[(3-pentylsulfanylphenyl)methyl]ethanamine
CID 66348037
[3-(3-methylsulfonylpropylsulfanyl)phenyl]methanol
CID 66346984
(3-pent-4-enylsulfanylphenyl)methanol
CID 66347975
N-[(3-nonylsulfanylphenyl)methyl]propan-1-amine
CID 66348443
[3-[2-(dimethylamino)ethylsulfanyl]phenyl]methanol
CID 66347194
2-methyl-N-[(3-octylsulfanylphenyl)methyl]propan-2-amine
CID 66349477
4-[3-(hydroxymethyl)phenyl]sulfanyl-N-methylbutanamide
CID 66349537
4-[3-(propylaminomethyl)phenyl]sulfanylbutan-1-ol
CID 66347276
2-methyl-N-[(3-pentylsulfanylphenyl)methyl]propan-1-amine
CID 66349687
5-[3-(ethylaminomethyl)phenyl]sulfanylpentan-1-ol
CID 66348613
1-(3-dodecylsulfanylphenyl)ethanone
CID 134942780
N-ethyl-3-[3-(hydroxymethyl)phenyl]sulfanylpropanamide
CID 66347205

Frequently Asked Questions

What is the IUPAC name of (3-pentylsulfanylphenyl)methanol?
The IUPAC name of (3-pentylsulfanylphenyl)methanol (CID 66347769) is (3-pentylsulfanylphenyl)methanol.
What is the SMILES notation for (3-pentylsulfanylphenyl)methanol?
The canonical SMILES for (3-pentylsulfanylphenyl)methanol is CCCCCSc1cccc(CO)c1.
What is the InChIKey of (3-pentylsulfanylphenyl)methanol?
The InChIKey is SLLVIUDCNQXVCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18OS/c1-2-3-4-8-14-12-7-5-6-11(9-12)10-13/h5-7,9,13H,2-4,8,10H2,1H3.
What are the key properties of (3-pentylsulfanylphenyl)methanol?
(3-pentylsulfanylphenyl)methanol has a molecular weight of 210.34 g/mol, XLogP of 3.46, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3-pentylsulfanylphenyl)methanol is sourced from PubChem (CID 66347769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).