4-[(4-hydroxy-1-methylcyclohexa-2,4-dien-1-yl)sulfanylmethyl]phenol

C14H16O2S — CID 143957840

IUPAC4-[(4-hydroxy-1-methylcyclohexa-2,4-dien-1-yl)sulfanylmethyl]phenol
SMILESCC1(SCc2ccc(O)cc2)C=CC(O)=CC1
InChIInChI=1S/C14H16O2S/c1-14(8-6-13(16)7-9-14)17-10-11-2-4-12(15)5-3-11/h2-8,15-16H,9-10H2,1H3
InChIKeyYBPFQQLPZFVNNX-UHFFFAOYSA-N
MW248.35 g/mol
LogP3.79
Rot. Bonds3

About 4-[(4-hydroxy-1-methylcyclohexa-2,4-dien-1-yl)sulfanylmethyl]phenol

4-[(4-hydroxy-1-methylcyclohexa-2,4-dien-1-yl)sulfanylmethyl]phenol (PubChem CID 143957840) has the molecular formula C14H16O2S and a molecular weight of 248.35 g/mol. Its IUPAC name is 4-[(4-hydroxy-1-methylcyclohexa-2,4-dien-1-yl)sulfanylmethyl]phenol.

Molecular Properties

Compound Name4-[(4-hydroxy-1-methylcyclohexa-2,4-dien-1-yl)sulfanylmethyl]phenol
PubChem CID143957840
Molecular FormulaC14H16O2S
Molecular Weight248.35 g/mol
Exact Mass248.09
IUPAC Name4-[(4-hydroxy-1-methylcyclohexa-2,4-dien-1-yl)sulfanylmethyl]phenol
SMILESCC1(SCc2ccc(O)cc2)C=CC(O)=CC1
InChIInChI=1S/C14H16O2S/c1-14(8-6-13(16)7-9-14)17-10-11-2-4-12(15)5-3-11/h2-8,15-16H,9-10H2,1H3
InChIKeyYBPFQQLPZFVNNX-UHFFFAOYSA-N
XLogP3.79
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.35
LogP ≤ 53.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-[2-[4-hydroxy-1-[2-(4-hydroxyphenyl)propan-2-yl]cyclohexa-2,4-dien-1-yl]propan-2-yl]phenol
CID 139709690
butane;4-(hydroxysulfanylmethyl)phenol
CID 174726296
bis(1,4-dihydroxycyclohexa-2,4-dien-1-yl)methanone
CID 141380895
4-(2-phenylethyl)cyclohexa-1,5-diene-1,4-diol
CID 19805748
4-prop-1-enylcyclohexa-1,5-diene-1,4-diol
CID 66591586
4-[(4-hydroxyphenyl)methyl]phenol
CID 12111
4-(dibenzylamino)-4-ethoxycyclohexa-1,5-dien-1-ol
CID 69278382
hydroxy-[(4-hydroxyphenyl)methylsulfanyl]-oxophosphanium
CID 174196737
ethane;4-ethylphenol;formaldehyde
CID 131698499
1-(4-hydroxyphenyl)propane-2,2-diol
CID 71429856
4-[(3-methylazetidin-3-yl)oxymethyl]phenol
CID 83065419
4-butyl-4-tert-butylcyclohexa-1,5-dien-1-ol
CID 150421507

Frequently Asked Questions

What is the IUPAC name of 4-[(4-hydroxy-1-methylcyclohexa-2,4-dien-1-yl)sulfanylmethyl]phenol?
The IUPAC name of 4-[(4-hydroxy-1-methylcyclohexa-2,4-dien-1-yl)sulfanylmethyl]phenol (CID 143957840) is 4-[(4-hydroxy-1-methylcyclohexa-2,4-dien-1-yl)sulfanylmethyl]phenol.
What is the SMILES notation for 4-[(4-hydroxy-1-methylcyclohexa-2,4-dien-1-yl)sulfanylmethyl]phenol?
The canonical SMILES for 4-[(4-hydroxy-1-methylcyclohexa-2,4-dien-1-yl)sulfanylmethyl]phenol is CC1(SCc2ccc(O)cc2)C=CC(O)=CC1.
What is the InChIKey of 4-[(4-hydroxy-1-methylcyclohexa-2,4-dien-1-yl)sulfanylmethyl]phenol?
The InChIKey is YBPFQQLPZFVNNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16O2S/c1-14(8-6-13(16)7-9-14)17-10-11-2-4-12(15)5-3-11/h2-8,15-16H,9-10H2,1H3.
What are the key properties of 4-[(4-hydroxy-1-methylcyclohexa-2,4-dien-1-yl)sulfanylmethyl]phenol?
4-[(4-hydroxy-1-methylcyclohexa-2,4-dien-1-yl)sulfanylmethyl]phenol has a molecular weight of 248.35 g/mol, XLogP of 3.79, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-hydroxy-1-methylcyclohexa-2,4-dien-1-yl)sulfanylmethyl]phenol is sourced from PubChem (CID 143957840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).