1-[3-methyl-6-(3-phenoxyphenyl)hex-1-en-3-yl]-4-propan-2-yloxybenzene

C28H32O2 — CID 70413302

IUPAC1-[3-methyl-6-(3-phenoxyphenyl)hex-1-en-3-yl]-4-propan-2-yloxybenzene
SMILESC=CC(C)(CCCc1cccc(Oc2ccccc2)c1)c1ccc(OC(C)C)cc1
InChIInChI=1S/C28H32O2/c1-5-28(4,24-16-18-26(19-17-24)29-22(2)3)20-10-12-23-11-9-15-27(21-23)30-25-13-7-6-8-14-25/h5-9,11,13-19,21-22H,1,10,12,20H2,2-4H3
InChIKeyUWWPJPDRHQIZSQ-UHFFFAOYSA-N
MW400.56 g/mol
LogP7.73
Rot. Bonds10

About 1-[3-methyl-6-(3-phenoxyphenyl)hex-1-en-3-yl]-4-propan-2-yloxybenzene

1-[3-methyl-6-(3-phenoxyphenyl)hex-1-en-3-yl]-4-propan-2-yloxybenzene (PubChem CID 70413302) has the molecular formula C28H32O2 and a molecular weight of 400.56 g/mol. Its IUPAC name is 1-[3-methyl-6-(3-phenoxyphenyl)hex-1-en-3-yl]-4-propan-2-yloxybenzene.

Molecular Properties

Compound Name1-[3-methyl-6-(3-phenoxyphenyl)hex-1-en-3-yl]-4-propan-2-yloxybenzene
PubChem CID70413302
Molecular FormulaC28H32O2
Molecular Weight400.56 g/mol
Exact Mass400.24
IUPAC Name1-[3-methyl-6-(3-phenoxyphenyl)hex-1-en-3-yl]-4-propan-2-yloxybenzene
SMILESC=CC(C)(CCCc1cccc(Oc2ccccc2)c1)c1ccc(OC(C)C)cc1
InChIInChI=1S/C28H32O2/c1-5-28(4,24-16-18-26(19-17-24)29-22(2)3)20-10-12-23-11-9-15-27(21-23)30-25-13-7-6-8-14-25/h5-9,11,13-19,21-22H,1,10,12,20H2,2-4H3
InChIKeyUWWPJPDRHQIZSQ-UHFFFAOYSA-N
XLogP7.73
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500400.56
LogP ≤ 57.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-butan-2-yloxy-4-[2-methyl-5-(3-phenoxyphenyl)pentan-2-yl]benzene
CID 21269835
1-fluoro-4-[3-[4-methyl-4-(4-propan-2-yloxyphenyl)hex-5-ynyl]phenoxy]benzene
CID 88645366
1-(2,2-dichloroethenoxy)-4-[2-methyl-5-(3-phenoxyphenyl)pentan-2-yl]benzene
CID 21269733
4,4-dimethyl-7-(3-phenoxyphenyl)hept-2-enal
CID 139608609
1,2-difluoro-4-[2-methyl-5-(3-phenoxyphenyl)pentan-2-yl]benzene
CID 21269950
1-[chloro(difluoro)methoxy]-4-[2-methyl-5-(3-phenoxyphenyl)pentan-2-yl]benzene
CID 14155768
1-phenoxy-3-(3-phenylpropyl)benzene
CID 173282204
4-phenoxy-N-[(3-propan-2-yloxyphenyl)methyl]aniline
CID 54796749
6-(4-fluoro-3-phenoxyphenyl)-3-methyl-3-(4-propan-2-yloxyphenyl)hexan-2-one
CID 139767367
1-chloro-2-fluoro-4-[6-(4-fluoro-3-phenoxyphenyl)-3-methylhex-1-en-3-yl]benzene
CID 70414183
1-[4-methyl-4-(4-nitrophenyl)pentyl]-3-phenoxybenzene
CID 21269669
4-[2-methyl-5-(3-phenoxyphenyl)pentan-2-yl]-1,2-bis(trifluoromethoxy)benzene
CID 21269700

Frequently Asked Questions

What is the IUPAC name of 1-[3-methyl-6-(3-phenoxyphenyl)hex-1-en-3-yl]-4-propan-2-yloxybenzene?
The IUPAC name of 1-[3-methyl-6-(3-phenoxyphenyl)hex-1-en-3-yl]-4-propan-2-yloxybenzene (CID 70413302) is 1-[3-methyl-6-(3-phenoxyphenyl)hex-1-en-3-yl]-4-propan-2-yloxybenzene.
What is the SMILES notation for 1-[3-methyl-6-(3-phenoxyphenyl)hex-1-en-3-yl]-4-propan-2-yloxybenzene?
The canonical SMILES for 1-[3-methyl-6-(3-phenoxyphenyl)hex-1-en-3-yl]-4-propan-2-yloxybenzene is C=CC(C)(CCCc1cccc(Oc2ccccc2)c1)c1ccc(OC(C)C)cc1.
What is the InChIKey of 1-[3-methyl-6-(3-phenoxyphenyl)hex-1-en-3-yl]-4-propan-2-yloxybenzene?
The InChIKey is UWWPJPDRHQIZSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H32O2/c1-5-28(4,24-16-18-26(19-17-24)29-22(2)3)20-10-12-23-11-9-15-27(21-23)30-25-13-7-6-8-14-25/h5-9,11,13-19,21-22H,1,10,12,20H2,2-4H3.
What are the key properties of 1-[3-methyl-6-(3-phenoxyphenyl)hex-1-en-3-yl]-4-propan-2-yloxybenzene?
1-[3-methyl-6-(3-phenoxyphenyl)hex-1-en-3-yl]-4-propan-2-yloxybenzene has a molecular weight of 400.56 g/mol, XLogP of 7.73, 10 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-methyl-6-(3-phenoxyphenyl)hex-1-en-3-yl]-4-propan-2-yloxybenzene is sourced from PubChem (CID 70413302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).