(Z)-10-hydroxy-1-(4-methoxyphenyl)-4,8-dimethyldec-4-en-1-one

C19H28O3 — CID 140821197

IUPAC(Z)-10-hydroxy-1-(4-methoxyphenyl)-4,8-dimethyldec-4-en-1-one
SMILESCOc1ccc(C(=O)CC/C(C)=C\CCC(C)CCO)cc1
InChIInChI=1S/C19H28O3/c1-15(5-4-6-16(2)13-14-20)7-12-19(21)17-8-10-18(22-3)11-9-17/h5,8-11,16,20H,4,6-7,12-14H2,1-3H3/b15-5-
InChIKeyLYSTUQCMNCXJFU-WCSRMQSCSA-N
MW304.43 g/mol
LogP4.40
Rot. Bonds10

About (Z)-10-hydroxy-1-(4-methoxyphenyl)-4,8-dimethyldec-4-en-1-one

(Z)-10-hydroxy-1-(4-methoxyphenyl)-4,8-dimethyldec-4-en-1-one (PubChem CID 140821197) has the molecular formula C19H28O3 and a molecular weight of 304.43 g/mol. Its IUPAC name is (Z)-10-hydroxy-1-(4-methoxyphenyl)-4,8-dimethyldec-4-en-1-one.

Molecular Properties

Compound Name(Z)-10-hydroxy-1-(4-methoxyphenyl)-4,8-dimethyldec-4-en-1-one
PubChem CID140821197
Molecular FormulaC19H28O3
Molecular Weight304.43 g/mol
Exact Mass304.20
IUPAC Name(Z)-10-hydroxy-1-(4-methoxyphenyl)-4,8-dimethyldec-4-en-1-one
SMILESCOc1ccc(C(=O)CC/C(C)=C\CCC(C)CCO)cc1
InChIInChI=1S/C19H28O3/c1-15(5-4-6-16(2)13-14-20)7-12-19(21)17-8-10-18(22-3)11-9-17/h5,8-11,16,20H,4,6-7,12-14H2,1-3H3/b15-5-
InChIKeyLYSTUQCMNCXJFU-WCSRMQSCSA-N
XLogP4.40
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.43
LogP ≤ 54.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(Z)-10-hydroxy-4,8-dimethyl-1-(4-methylphenyl)dec-4-en-1-one
CID 140821196
1-(4-methoxyphenyl)-5-methylhex-4-en-1-one
CID 11160278
(2E)-2-[(4-methoxyphenyl)methylidene]-5,9,13-trimethyltetradeca-8,12-dienoic acid
CID 155024023
2-(4-hydroxybutan-2-ylsulfanyl)-1-(4-methoxyphenyl)ethanone
CID 66136822
(6E,10E,14E,18E,22E,26Z,30E,34E,38E,42E,46Z,50E,54E,58E,62E,66E,70E,74Z)-3,7,11,15,19,23,27,31,35,39,43,47,51,55,59,63,67,71,75,79-icosamethyloctaconta-6,10,14,18,22,26,30,34,38,42,46,50,54,58,62,66,70,74,78-nonadecaen-1-ol
CID 11818896
(6Z,10Z,14Z,18Z,22Z,26Z,30Z,34Z,38E,42E)-3,7,11,15,19,23,27,31,35,39,43,47-dodecamethyloctatetraconta-6,10,14,18,22,26,30,34,38,42,46-undecaen-1-ol
CID 91820232
3,7,11,15,19,23,27,31,35,39,43,47,51,55,59,63,67,71,75,79,83,87,91-tricosamethyldononaconta-6,10,14,18,22,26,30,34,38,42,46,50,54,58,62,66,70,74,78,82,86,90-docosaen-1-ol
CID 139698175
1,9-bis(4-methoxyphenyl)nonane-1,9-dione
CID 3499009
1-(4-methoxyphenyl)butan-1-one;hydrochloride
CID 162084347
3-[bis(3-methylbutyl)amino]-1-(4-methoxyphenyl)propan-1-one
CID 71671663
N-(3-aminobutyl)-5-(4-methoxyphenyl)-5-oxopentanamide
CID 119496713
(2E)-3,7-dimethylocta-2,6-dien-1-ol;4-methoxybenzoic acid
CID 174832774

Frequently Asked Questions

What is the IUPAC name of (Z)-10-hydroxy-1-(4-methoxyphenyl)-4,8-dimethyldec-4-en-1-one?
The IUPAC name of (Z)-10-hydroxy-1-(4-methoxyphenyl)-4,8-dimethyldec-4-en-1-one (CID 140821197) is (Z)-10-hydroxy-1-(4-methoxyphenyl)-4,8-dimethyldec-4-en-1-one.
What is the SMILES notation for (Z)-10-hydroxy-1-(4-methoxyphenyl)-4,8-dimethyldec-4-en-1-one?
The canonical SMILES for (Z)-10-hydroxy-1-(4-methoxyphenyl)-4,8-dimethyldec-4-en-1-one is COc1ccc(C(=O)CC/C(C)=C\CCC(C)CCO)cc1.
What is the InChIKey of (Z)-10-hydroxy-1-(4-methoxyphenyl)-4,8-dimethyldec-4-en-1-one?
The InChIKey is LYSTUQCMNCXJFU-WCSRMQSCSA-N. The full InChI is InChI=1S/C19H28O3/c1-15(5-4-6-16(2)13-14-20)7-12-19(21)17-8-10-18(22-3)11-9-17/h5,8-11,16,20H,4,6-7,12-14H2,1-3H3/b15-5-.
What are the key properties of (Z)-10-hydroxy-1-(4-methoxyphenyl)-4,8-dimethyldec-4-en-1-one?
(Z)-10-hydroxy-1-(4-methoxyphenyl)-4,8-dimethyldec-4-en-1-one has a molecular weight of 304.43 g/mol, XLogP of 4.40, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-10-hydroxy-1-(4-methoxyphenyl)-4,8-dimethyldec-4-en-1-one is sourced from PubChem (CID 140821197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).