(3-chloro-4-pentylsulfanylphenyl)methanol

C12H17ClOS — CID 107762038

IUPAC(3-chloro-4-pentylsulfanylphenyl)methanol
SMILESCCCCCSc1ccc(CO)cc1Cl
InChIInChI=1S/C12H17ClOS/c1-2-3-4-7-15-12-6-5-10(9-14)8-11(12)13/h5-6,8,14H,2-4,7,9H2,1H3
InChIKeyYQWOGGAPYRHCHY-UHFFFAOYSA-N
MW244.79 g/mol
LogP4.11
Rot. Bonds6

About (3-chloro-4-pentylsulfanylphenyl)methanol

(3-chloro-4-pentylsulfanylphenyl)methanol (PubChem CID 107762038) has the molecular formula C12H17ClOS and a molecular weight of 244.79 g/mol. Its IUPAC name is (3-chloro-4-pentylsulfanylphenyl)methanol.

Molecular Properties

Compound Name(3-chloro-4-pentylsulfanylphenyl)methanol
PubChem CID107762038
Molecular FormulaC12H17ClOS
Molecular Weight244.79 g/mol
Exact Mass244.07
IUPAC Name(3-chloro-4-pentylsulfanylphenyl)methanol
SMILESCCCCCSc1ccc(CO)cc1Cl
InChIInChI=1S/C12H17ClOS/c1-2-3-4-7-15-12-6-5-10(9-14)8-11(12)13/h5-6,8,14H,2-4,7,9H2,1H3
InChIKeyYQWOGGAPYRHCHY-UHFFFAOYSA-N
XLogP4.11
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.79
LogP ≤ 54.11
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

[3-chloro-4-(3-methylbutylsulfanyl)phenyl]methanol
CID 107762259
[3-chloro-4-[2-(diethylamino)ethylsulfanyl]phenyl]methanol
CID 81159576
1-(3-chloro-4-pentylsulfanylphenyl)ethanone
CID 107750428
1,4-dichloro-2,5-bis(heptylsulfanyl)benzene
CID 71322457
3-[2-chloro-4-(ethylaminomethyl)phenyl]sulfanylpropan-1-ol
CID 81160613
N-[(4-butylsulfanyl-3-chlorophenyl)methyl]-2-methylpropan-2-amine
CID 81160386
1-(4-butylsulfanyl-3-chlorophenyl)ethanol
CID 63835923
4-butylsulfanyl-3-chloroaniline
CID 43305432
(3-pentylsulfanylphenyl)methanol
CID 66347769
1-(3-chloro-4-propylsulfanylphenyl)-N-methylmethanamine
CID 81160889
(3-chloro-4-nonoxyphenyl)methanol
CID 63533386
3-[2-chloro-4-(hydroxymethyl)phenyl]sulfanylbutan-2-ol
CID 107772358

Frequently Asked Questions

What is the IUPAC name of (3-chloro-4-pentylsulfanylphenyl)methanol?
The IUPAC name of (3-chloro-4-pentylsulfanylphenyl)methanol (CID 107762038) is (3-chloro-4-pentylsulfanylphenyl)methanol.
What is the SMILES notation for (3-chloro-4-pentylsulfanylphenyl)methanol?
The canonical SMILES for (3-chloro-4-pentylsulfanylphenyl)methanol is CCCCCSc1ccc(CO)cc1Cl.
What is the InChIKey of (3-chloro-4-pentylsulfanylphenyl)methanol?
The InChIKey is YQWOGGAPYRHCHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17ClOS/c1-2-3-4-7-15-12-6-5-10(9-14)8-11(12)13/h5-6,8,14H,2-4,7,9H2,1H3.
What are the key properties of (3-chloro-4-pentylsulfanylphenyl)methanol?
(3-chloro-4-pentylsulfanylphenyl)methanol has a molecular weight of 244.79 g/mol, XLogP of 4.11, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3-chloro-4-pentylsulfanylphenyl)methanol is sourced from PubChem (CID 107762038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).