(5R)-2-hydroxy-1-(3-methoxy-4-phenylmethoxyphenyl)-5,9-dimethyldec-8-en-3-one

C26H34O4 — CID 11502444

IUPAC(5R)-2-hydroxy-1-(3-methoxy-4-phenylmethoxyphenyl)-5,9-dimethyldec-8-en-3-one
SMILESCOc1cc(CC(O)C(=O)C[C@H](C)CCC=C(C)C)ccc1OCc1ccccc1
InChIInChI=1S/C26H34O4/c1-19(2)9-8-10-20(3)15-23(27)24(28)16-22-13-14-25(26(17-22)29-4)30-18-21-11-6-5-7-12-21/h5-7,9,11-14,17,20,24,28H,8,10,15-16,18H2,1-4H3/t20-,24?/m1/s1
InChIKeyZINBGQSXVZGJHV-CGHJUBPDSA-N
MW410.55 g/mol
LogP5.52
Rot. Bonds12

About (5R)-2-hydroxy-1-(3-methoxy-4-phenylmethoxyphenyl)-5,9-dimethyldec-8-en-3-one

(5R)-2-hydroxy-1-(3-methoxy-4-phenylmethoxyphenyl)-5,9-dimethyldec-8-en-3-one (PubChem CID 11502444) has the molecular formula C26H34O4 and a molecular weight of 410.55 g/mol. Its IUPAC name is (5R)-2-hydroxy-1-(3-methoxy-4-phenylmethoxyphenyl)-5,9-dimethyldec-8-en-3-one.

Molecular Properties

Compound Name(5R)-2-hydroxy-1-(3-methoxy-4-phenylmethoxyphenyl)-5,9-dimethyldec-8-en-3-one
PubChem CID11502444
Molecular FormulaC26H34O4
Molecular Weight410.55 g/mol
Exact Mass410.25
IUPAC Name(5R)-2-hydroxy-1-(3-methoxy-4-phenylmethoxyphenyl)-5,9-dimethyldec-8-en-3-one
SMILESCOc1cc(CC(O)C(=O)C[C@H](C)CCC=C(C)C)ccc1OCc1ccccc1
InChIInChI=1S/C26H34O4/c1-19(2)9-8-10-20(3)15-23(27)24(28)16-22-13-14-25(26(17-22)29-4)30-18-21-11-6-5-7-12-21/h5-7,9,11-14,17,20,24,28H,8,10,15-16,18H2,1-4H3/t20-,24?/m1/s1
InChIKeyZINBGQSXVZGJHV-CGHJUBPDSA-N
XLogP5.52
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds12
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500410.55
LogP ≤ 55.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-hydroxy-1-(4-hydroxy-3-methoxyphenyl)-5,10-dimethylundec-9-en-3-one
CID 143334764
3-chloro-4-(3-methoxy-4-phenylmethoxyphenyl)butan-2-one
CID 82185007
4-(2,2-dimethoxy-2-tritioethyl)-2-methoxy-1-phenylmethoxybenzene
CID 10780824
benzyl 3-[3,4-bis(phenylmethoxy)phenyl]-2-hydroxypropanoate
CID 23238101
4-(3-methoxy-4-phenylmethoxyphenyl)-2-methylbutanamide
CID 68669823
bis[2-[(3-methoxy-4-phenylmethoxyphenyl)methoxy]phenoxy] carbonate
CID 90151087
4-(iodomethyl)-2-methoxy-1-phenylmethoxybenzene
CID 11164050
3-(3-methoxy-4-phenylmethoxyphenyl)propanoic acid
CID 2752415
(1S)-1-(3-methoxy-4-phenylmethoxyphenyl)ethanol
CID 63364701
(2S)-2-[(3-methoxy-4-phenylmethoxyphenyl)methylamino]-3-phenylpropanoic acid
CID 99796449
(2R)-3-(3,4-dimethoxyphenyl)-2-hydroxypropanoic acid
CID 14163336
(3R)-4-(3,4-dimethoxyphenyl)-3-hydroxybutan-2-one
CID 130440860

Frequently Asked Questions

What is the IUPAC name of (5R)-2-hydroxy-1-(3-methoxy-4-phenylmethoxyphenyl)-5,9-dimethyldec-8-en-3-one?
The IUPAC name of (5R)-2-hydroxy-1-(3-methoxy-4-phenylmethoxyphenyl)-5,9-dimethyldec-8-en-3-one (CID 11502444) is (5R)-2-hydroxy-1-(3-methoxy-4-phenylmethoxyphenyl)-5,9-dimethyldec-8-en-3-one.
What is the SMILES notation for (5R)-2-hydroxy-1-(3-methoxy-4-phenylmethoxyphenyl)-5,9-dimethyldec-8-en-3-one?
The canonical SMILES for (5R)-2-hydroxy-1-(3-methoxy-4-phenylmethoxyphenyl)-5,9-dimethyldec-8-en-3-one is COc1cc(CC(O)C(=O)C[C@H](C)CCC=C(C)C)ccc1OCc1ccccc1.
What is the InChIKey of (5R)-2-hydroxy-1-(3-methoxy-4-phenylmethoxyphenyl)-5,9-dimethyldec-8-en-3-one?
The InChIKey is ZINBGQSXVZGJHV-CGHJUBPDSA-N. The full InChI is InChI=1S/C26H34O4/c1-19(2)9-8-10-20(3)15-23(27)24(28)16-22-13-14-25(26(17-22)29-4)30-18-21-11-6-5-7-12-21/h5-7,9,11-14,17,20,24,28H,8,10,15-16,18H2,1-4H3/t20-,24?/m1/s1.
What are the key properties of (5R)-2-hydroxy-1-(3-methoxy-4-phenylmethoxyphenyl)-5,9-dimethyldec-8-en-3-one?
(5R)-2-hydroxy-1-(3-methoxy-4-phenylmethoxyphenyl)-5,9-dimethyldec-8-en-3-one has a molecular weight of 410.55 g/mol, XLogP of 5.52, 12 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-2-hydroxy-1-(3-methoxy-4-phenylmethoxyphenyl)-5,9-dimethyldec-8-en-3-one is sourced from PubChem (CID 11502444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).