4-[(1Z)-1-phenyl-1-(3-phenylinden-1-ylidene)propan-2-yl]oxyphenol

C30H24O2 — CID 102164178

IUPAC4-[(1Z)-1-phenyl-1-(3-phenylinden-1-ylidene)propan-2-yl]oxyphenol
SMILESCC(Oc1ccc(O)cc1)/C(=C1/C=C(c2ccccc2)c2ccccc21)c1ccccc1
InChIInChI=1S/C30H24O2/c1-21(32-25-18-16-24(31)17-19-25)30(23-12-6-3-7-13-23)29-20-28(22-10-4-2-5-11-22)26-14-8-9-15-27(26)29/h2-21,31H,1H3/b30-29+
InChIKeyOWYLSBKIQBQQER-QVIHXGFCSA-N
MW416.52 g/mol
LogP7.22
Rot. Bonds5

About 4-[(1Z)-1-phenyl-1-(3-phenylinden-1-ylidene)propan-2-yl]oxyphenol

4-[(1Z)-1-phenyl-1-(3-phenylinden-1-ylidene)propan-2-yl]oxyphenol (PubChem CID 102164178) has the molecular formula C30H24O2 and a molecular weight of 416.52 g/mol. Its IUPAC name is 4-[(1Z)-1-phenyl-1-(3-phenylinden-1-ylidene)propan-2-yl]oxyphenol.

Molecular Properties

Compound Name4-[(1Z)-1-phenyl-1-(3-phenylinden-1-ylidene)propan-2-yl]oxyphenol
PubChem CID102164178
Molecular FormulaC30H24O2
Molecular Weight416.52 g/mol
Exact Mass416.18
IUPAC Name4-[(1Z)-1-phenyl-1-(3-phenylinden-1-ylidene)propan-2-yl]oxyphenol
SMILESCC(Oc1ccc(O)cc1)/C(=C1/C=C(c2ccccc2)c2ccccc21)c1ccccc1
InChIInChI=1S/C30H24O2/c1-21(32-25-18-16-24(31)17-19-25)30(23-12-6-3-7-13-23)29-20-28(22-10-4-2-5-11-22)26-14-8-9-15-27(26)29/h2-21,31H,1H3/b30-29+
InChIKeyOWYLSBKIQBQQER-QVIHXGFCSA-N
XLogP7.22
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500416.52
LogP ≤ 57.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

phenyl 2-(4-hydroxyphenoxy)propanoate
CID 12919933
1-methoxy-4-phenylbenzene;4-(4-methoxyphenyl)phenol
CID 69347648
(2R)-1-(4-methoxyphenyl)-2-(4-phenylphenoxy)propan-1-one
CID 2571565
(2R)-2-(4-hydroxyphenoxy)propanamide
CID 67641252
ethane;4-propan-2-yloxyphenol
CID 142348653
2-hydroxy-3-phenoxypropanoic acid;2-(4-hydroxyphenoxy)propanoic acid
CID 126650060
3-methylbut-3-en-2-yloxybenzene
CID 564925
anthracene-9,10-dione;ethane;4-methoxyphenol
CID 90695266
methyl (2R)-2-(4-phenylphenoxy)propanoate
CID 7085245
2-[4-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]-3-hydroxyphenoxy]pentan-3-one
CID 165088688
(2R)-2-(4-benzoylphenoxy)-N-propan-2-ylpropanamide
CID 40747363
(2S)-2-(4-acetylphenoxy)-N-(2-phenylphenyl)propanamide
CID 7763807

Frequently Asked Questions

What is the IUPAC name of 4-[(1Z)-1-phenyl-1-(3-phenylinden-1-ylidene)propan-2-yl]oxyphenol?
The IUPAC name of 4-[(1Z)-1-phenyl-1-(3-phenylinden-1-ylidene)propan-2-yl]oxyphenol (CID 102164178) is 4-[(1Z)-1-phenyl-1-(3-phenylinden-1-ylidene)propan-2-yl]oxyphenol.
What is the SMILES notation for 4-[(1Z)-1-phenyl-1-(3-phenylinden-1-ylidene)propan-2-yl]oxyphenol?
The canonical SMILES for 4-[(1Z)-1-phenyl-1-(3-phenylinden-1-ylidene)propan-2-yl]oxyphenol is CC(Oc1ccc(O)cc1)/C(=C1/C=C(c2ccccc2)c2ccccc21)c1ccccc1.
What is the InChIKey of 4-[(1Z)-1-phenyl-1-(3-phenylinden-1-ylidene)propan-2-yl]oxyphenol?
The InChIKey is OWYLSBKIQBQQER-QVIHXGFCSA-N. The full InChI is InChI=1S/C30H24O2/c1-21(32-25-18-16-24(31)17-19-25)30(23-12-6-3-7-13-23)29-20-28(22-10-4-2-5-11-22)26-14-8-9-15-27(26)29/h2-21,31H,1H3/b30-29+.
What are the key properties of 4-[(1Z)-1-phenyl-1-(3-phenylinden-1-ylidene)propan-2-yl]oxyphenol?
4-[(1Z)-1-phenyl-1-(3-phenylinden-1-ylidene)propan-2-yl]oxyphenol has a molecular weight of 416.52 g/mol, XLogP of 7.22, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(1Z)-1-phenyl-1-(3-phenylinden-1-ylidene)propan-2-yl]oxyphenol is sourced from PubChem (CID 102164178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).