1-[4-[(4-propylcyclohexyl)methoxy]phenyl]prop-2-en-1-one

C19H26O2 — CID 59695761

IUPAC1-[4-[(4-propylcyclohexyl)methoxy]phenyl]prop-2-en-1-one
SMILESC=CC(=O)c1ccc(OCC2CCC(CCC)CC2)cc1
InChIInChI=1S/C19H26O2/c1-3-5-15-6-8-16(9-7-15)14-21-18-12-10-17(11-13-18)19(20)4-2/h4,10-13,15-16H,2-3,5-9,14H2,1H3
InChIKeyUOZLRRROYHIWDF-UHFFFAOYSA-N
MW286.42 g/mol
LogP5.04
Rot. Bonds7

About 1-[4-[(4-propylcyclohexyl)methoxy]phenyl]prop-2-en-1-one

1-[4-[(4-propylcyclohexyl)methoxy]phenyl]prop-2-en-1-one (PubChem CID 59695761) has the molecular formula C19H26O2 and a molecular weight of 286.42 g/mol. Its IUPAC name is 1-[4-[(4-propylcyclohexyl)methoxy]phenyl]prop-2-en-1-one.

Molecular Properties

Compound Name1-[4-[(4-propylcyclohexyl)methoxy]phenyl]prop-2-en-1-one
PubChem CID59695761
Molecular FormulaC19H26O2
Molecular Weight286.42 g/mol
Exact Mass286.19
IUPAC Name1-[4-[(4-propylcyclohexyl)methoxy]phenyl]prop-2-en-1-one
SMILESC=CC(=O)c1ccc(OCC2CCC(CCC)CC2)cc1
InChIInChI=1S/C19H26O2/c1-3-5-15-6-8-16(9-7-15)14-21-18-12-10-17(11-13-18)19(20)4-2/h4,10-13,15-16H,2-3,5-9,14H2,1H3
InChIKeyUOZLRRROYHIWDF-UHFFFAOYSA-N
XLogP5.04
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500286.42
LogP ≤ 55.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

1-[4-[2-(4-propylcyclohexyl)ethyl]phenyl]prop-2-en-1-one
CID 59695704
(4-prop-2-enoylphenyl) 4-(4-propylcyclohexyl)benzoate
CID 59695720
1-[4-[difluoro-[4-(4-propylcyclohexyl)cyclohexyl]methoxy]phenyl]prop-2-en-1-one
CID 59695826
1-[4-[2-[[4-(4-propylcyclohexyl)phenoxy]methoxy]ethynyl]phenyl]prop-2-en-1-one
CID 59695954
1-[4-[4-[2-(4-propylcyclohexyl)ethenyl]cyclohexyl]phenyl]prop-2-en-1-one
CID 59695799
4-[[4-(methoxymethyl)cyclohexyl]methoxy]benzoic acid
CID 71350280
1-[4-[[4-(3-chloropropyl)cyclohexyl]methoxy]phenyl]propan-1-one
CID 70445084
4-(cyclopropylmethoxy)-N-ethylbenzamide
CID 60572461
[4-[3-(4-propylcyclohexyl)propoxy]phenyl] 4-pent-4-enoxybenzoate
CID 54142855
1-[3-(4-heptylcyclohexyl)propoxy]-4-[(4-propylcyclohexyl)methoxy]benzene
CID 19739250
1-[4-(cyclobutylmethoxy)phenyl]propan-1-one
CID 65459422
4-(cyclopropylmethoxy)-N-ethoxybenzamide
CID 60572474

Frequently Asked Questions

What is the IUPAC name of 1-[4-[(4-propylcyclohexyl)methoxy]phenyl]prop-2-en-1-one?
The IUPAC name of 1-[4-[(4-propylcyclohexyl)methoxy]phenyl]prop-2-en-1-one (CID 59695761) is 1-[4-[(4-propylcyclohexyl)methoxy]phenyl]prop-2-en-1-one.
What is the SMILES notation for 1-[4-[(4-propylcyclohexyl)methoxy]phenyl]prop-2-en-1-one?
The canonical SMILES for 1-[4-[(4-propylcyclohexyl)methoxy]phenyl]prop-2-en-1-one is C=CC(=O)c1ccc(OCC2CCC(CCC)CC2)cc1.
What is the InChIKey of 1-[4-[(4-propylcyclohexyl)methoxy]phenyl]prop-2-en-1-one?
The InChIKey is UOZLRRROYHIWDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26O2/c1-3-5-15-6-8-16(9-7-15)14-21-18-12-10-17(11-13-18)19(20)4-2/h4,10-13,15-16H,2-3,5-9,14H2,1H3.
What are the key properties of 1-[4-[(4-propylcyclohexyl)methoxy]phenyl]prop-2-en-1-one?
1-[4-[(4-propylcyclohexyl)methoxy]phenyl]prop-2-en-1-one has a molecular weight of 286.42 g/mol, XLogP of 5.04, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[(4-propylcyclohexyl)methoxy]phenyl]prop-2-en-1-one is sourced from PubChem (CID 59695761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).