1-hepta-1,6-dien-4-yl-3,4,5-trimethyl-2-phenylmethoxybenzene

C23H28O — CID 170000022

IUPAC1-hepta-1,6-dien-4-yl-3,4,5-trimethyl-2-phenylmethoxybenzene
SMILESC=CCC(CC=C)c1cc(C)c(C)c(C)c1OCc1ccccc1
InChIInChI=1S/C23H28O/c1-6-11-21(12-7-2)22-15-17(3)18(4)19(5)23(22)24-16-20-13-9-8-10-14-20/h6-10,13-15,21H,1-2,11-12,16H2,3-5H3
InChIKeyXNUPONHXJUKRTL-UHFFFAOYSA-N
MW320.48 g/mol
LogP6.43
Rot. Bonds8

About 1-hepta-1,6-dien-4-yl-3,4,5-trimethyl-2-phenylmethoxybenzene

1-hepta-1,6-dien-4-yl-3,4,5-trimethyl-2-phenylmethoxybenzene (PubChem CID 170000022) has the molecular formula C23H28O and a molecular weight of 320.48 g/mol. Its IUPAC name is 1-hepta-1,6-dien-4-yl-3,4,5-trimethyl-2-phenylmethoxybenzene.

Molecular Properties

Compound Name1-hepta-1,6-dien-4-yl-3,4,5-trimethyl-2-phenylmethoxybenzene
PubChem CID170000022
Molecular FormulaC23H28O
Molecular Weight320.48 g/mol
Exact Mass320.21
IUPAC Name1-hepta-1,6-dien-4-yl-3,4,5-trimethyl-2-phenylmethoxybenzene
SMILESC=CCC(CC=C)c1cc(C)c(C)c(C)c1OCc1ccccc1
InChIInChI=1S/C23H28O/c1-6-11-21(12-7-2)22-15-17(3)18(4)19(5)23(22)24-16-20-13-9-8-10-14-20/h6-10,13-15,21H,1-2,11-12,16H2,3-5H3
InChIKeyXNUPONHXJUKRTL-UHFFFAOYSA-N
XLogP6.43
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500320.48
LogP ≤ 56.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2,3,5,6-tetramethyl-4-phenylmethoxybenzaldehyde
CID 71408995
1-but-3-en-2-yl-4-methoxy-5-methyl-2-phenylmethoxybenzene
CID 163960697
1,3-dimethyl-2-phenylmethoxy-5-propan-2-ylbenzene
CID 59709239
3-methyl-4-phenylmethoxynaphthalen-1-ol
CID 12051652
1,2-dimethyl-5-phenyl-3-phenylmethoxybenzene
CID 175309090
2,4,5-trimethyl-3,6-bis(phenylmethoxy)benzaldehyde
CID 86653777
1-methyl-5-(2-methylbut-3-en-2-yloxy)-4-pent-4-en-2-yl-2-phenylmethoxybenzene
CID 24895083
3-(3,5-dimethyl-4-phenylmethoxyphenyl)butanal
CID 117453947
1-methyl-4-(2-phenylmethoxypent-4-enoxy)benzene
CID 21317630
2,3,5-trimethyl-4-phenylmethoxybenzoyl chloride
CID 59202337
4-methoxy-2,5-dimethyl-3-phenylmethoxybenzaldehyde
CID 142270247
[(2S)-2-fluoropent-4-enoxy]methylbenzene
CID 166140557

Frequently Asked Questions

What is the IUPAC name of 1-hepta-1,6-dien-4-yl-3,4,5-trimethyl-2-phenylmethoxybenzene?
The IUPAC name of 1-hepta-1,6-dien-4-yl-3,4,5-trimethyl-2-phenylmethoxybenzene (CID 170000022) is 1-hepta-1,6-dien-4-yl-3,4,5-trimethyl-2-phenylmethoxybenzene.
What is the SMILES notation for 1-hepta-1,6-dien-4-yl-3,4,5-trimethyl-2-phenylmethoxybenzene?
The canonical SMILES for 1-hepta-1,6-dien-4-yl-3,4,5-trimethyl-2-phenylmethoxybenzene is C=CCC(CC=C)c1cc(C)c(C)c(C)c1OCc1ccccc1.
What is the InChIKey of 1-hepta-1,6-dien-4-yl-3,4,5-trimethyl-2-phenylmethoxybenzene?
The InChIKey is XNUPONHXJUKRTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28O/c1-6-11-21(12-7-2)22-15-17(3)18(4)19(5)23(22)24-16-20-13-9-8-10-14-20/h6-10,13-15,21H,1-2,11-12,16H2,3-5H3.
What are the key properties of 1-hepta-1,6-dien-4-yl-3,4,5-trimethyl-2-phenylmethoxybenzene?
1-hepta-1,6-dien-4-yl-3,4,5-trimethyl-2-phenylmethoxybenzene has a molecular weight of 320.48 g/mol, XLogP of 6.43, 8 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-hepta-1,6-dien-4-yl-3,4,5-trimethyl-2-phenylmethoxybenzene is sourced from PubChem (CID 170000022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).