4-[4-(4-prop-2-enylcyclohexyl)oxyphenyl]phenol

C21H24O2 — CID 177260768

IUPAC4-[4-(4-prop-2-enylcyclohexyl)oxyphenyl]phenol
SMILESC=CCC1CCC(Oc2ccc(-c3ccc(O)cc3)cc2)CC1
InChIInChI=1S/C21H24O2/c1-2-3-16-4-12-20(13-5-16)23-21-14-8-18(9-15-21)17-6-10-19(22)11-7-17/h2,6-11,14-16,20,22H,1,3-5,12-13H2
InChIKeyTYIGZJGQXFWMQA-UHFFFAOYSA-N
MW308.42 g/mol
LogP5.57
Rot. Bonds5

About 4-[4-(4-prop-2-enylcyclohexyl)oxyphenyl]phenol

4-[4-(4-prop-2-enylcyclohexyl)oxyphenyl]phenol (PubChem CID 177260768) has the molecular formula C21H24O2 and a molecular weight of 308.42 g/mol. Its IUPAC name is 4-[4-(4-prop-2-enylcyclohexyl)oxyphenyl]phenol.

Molecular Properties

Compound Name4-[4-(4-prop-2-enylcyclohexyl)oxyphenyl]phenol
PubChem CID177260768
Molecular FormulaC21H24O2
Molecular Weight308.42 g/mol
Exact Mass308.18
IUPAC Name4-[4-(4-prop-2-enylcyclohexyl)oxyphenyl]phenol
SMILESC=CCC1CCC(Oc2ccc(-c3ccc(O)cc3)cc2)CC1
InChIInChI=1S/C21H24O2/c1-2-3-16-4-12-20(13-5-16)23-21-14-8-18(9-15-21)17-6-10-19(22)11-7-17/h2,6-11,14-16,20,22H,1,3-5,12-13H2
InChIKeyTYIGZJGQXFWMQA-UHFFFAOYSA-N
XLogP5.57
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500308.42
LogP ≤ 55.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-cycloheptyloxyphenol
CID 67178425
1-cyclopropyloxy-4-prop-2-enylbenzene
CID 114520509
1-bromo-4-(2-bromoethoxy)benzene;1-bromo-4-cyclopropyloxybenzene;1-bromo-4-ethenoxybenzene;4-bromophenol
CID 161232108
4-(4-cyclopropyloxyphenyl)aniline
CID 114519885
4-(4-prop-2-enoxyphenyl)phenol
CID 14817245
4-(4-hydroxyphenoxy)cyclohexan-1-one
CID 18359489
4-[1-(4-cyclopropyloxyphenyl)-1-hydroxyethyl]phenol
CID 114518723
methyl 2-[4-[4-(4-aminophenyl)phenoxy]cyclohexyl]acetate
CID 151069904
[4-(3,4-difluorophenyl)phenyl] 4-prop-2-enylcyclohexane-1-carboxylate
CID 70378138
4-[[4-[(4-hydroxyphenoxy)methyl]cyclohexyl]methoxy]phenol
CID 118229789
[4-[4-[4-(hydroxymethyl)phenoxy]cyclohexyl]oxyphenyl]methanol
CID 118229832
(4-prop-2-enylcyclohexyl)methoxybenzene
CID 70544247

Frequently Asked Questions

What is the IUPAC name of 4-[4-(4-prop-2-enylcyclohexyl)oxyphenyl]phenol?
The IUPAC name of 4-[4-(4-prop-2-enylcyclohexyl)oxyphenyl]phenol (CID 177260768) is 4-[4-(4-prop-2-enylcyclohexyl)oxyphenyl]phenol.
What is the SMILES notation for 4-[4-(4-prop-2-enylcyclohexyl)oxyphenyl]phenol?
The canonical SMILES for 4-[4-(4-prop-2-enylcyclohexyl)oxyphenyl]phenol is C=CCC1CCC(Oc2ccc(-c3ccc(O)cc3)cc2)CC1.
What is the InChIKey of 4-[4-(4-prop-2-enylcyclohexyl)oxyphenyl]phenol?
The InChIKey is TYIGZJGQXFWMQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24O2/c1-2-3-16-4-12-20(13-5-16)23-21-14-8-18(9-15-21)17-6-10-19(22)11-7-17/h2,6-11,14-16,20,22H,1,3-5,12-13H2.
What are the key properties of 4-[4-(4-prop-2-enylcyclohexyl)oxyphenyl]phenol?
4-[4-(4-prop-2-enylcyclohexyl)oxyphenyl]phenol has a molecular weight of 308.42 g/mol, XLogP of 5.57, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(4-prop-2-enylcyclohexyl)oxyphenyl]phenol is sourced from PubChem (CID 177260768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).