1-[5-methoxy-2-(3-phenoxycyclohexa-1,3-dien-1-yl)phenyl]-3,5-dimethylbenzene

C27H26O2 — CID 173197395

IUPAC1-[5-methoxy-2-(3-phenoxycyclohexa-1,3-dien-1-yl)phenyl]-3,5-dimethylbenzene
SMILESCOc1ccc(C2=CC(Oc3ccccc3)=CCC2)c(-c2cc(C)cc(C)c2)c1
InChIInChI=1S/C27H26O2/c1-19-14-20(2)16-22(15-19)27-18-24(28-3)12-13-26(27)21-8-7-11-25(17-21)29-23-9-5-4-6-10-23/h4-6,9-18H,7-8H2,1-3H3
InChIKeyBCULTOYBBCKNQO-UHFFFAOYSA-N
MW382.50 g/mol
LogP7.12
Rot. Bonds5

About 1-[5-methoxy-2-(3-phenoxycyclohexa-1,3-dien-1-yl)phenyl]-3,5-dimethylbenzene

1-[5-methoxy-2-(3-phenoxycyclohexa-1,3-dien-1-yl)phenyl]-3,5-dimethylbenzene (PubChem CID 173197395) has the molecular formula C27H26O2 and a molecular weight of 382.50 g/mol. Its IUPAC name is 1-[5-methoxy-2-(3-phenoxycyclohexa-1,3-dien-1-yl)phenyl]-3,5-dimethylbenzene.

Molecular Properties

Compound Name1-[5-methoxy-2-(3-phenoxycyclohexa-1,3-dien-1-yl)phenyl]-3,5-dimethylbenzene
PubChem CID173197395
Molecular FormulaC27H26O2
Molecular Weight382.50 g/mol
Exact Mass382.19
IUPAC Name1-[5-methoxy-2-(3-phenoxycyclohexa-1,3-dien-1-yl)phenyl]-3,5-dimethylbenzene
SMILESCOc1ccc(C2=CC(Oc3ccccc3)=CCC2)c(-c2cc(C)cc(C)c2)c1
InChIInChI=1S/C27H26O2/c1-19-14-20(2)16-22(15-19)27-18-24(28-3)12-13-26(27)21-8-7-11-25(17-21)29-23-9-5-4-6-10-23/h4-6,9-18H,7-8H2,1-3H3
InChIKeyBCULTOYBBCKNQO-UHFFFAOYSA-N
XLogP7.12
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500382.50
LogP ≤ 57.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

Etofenprox
CID 71245
2-Methoxynaphthalene
CID 7119
4-Methoxybiphenyl
CID 11943
2-Ethoxynaphthalene
CID 7129
2-(2-Methylpropoxy)naphthalene
CID 16582
Halfenprox
CID 10140464
Benzyl 2-naphthyl ether
CID 123080
6-Methoxytetralin
CID 74414
2-Biphenylyl phenyl ether
CID 81220
1,1'-Biphenyl, 4,4'-dimethoxy-
CID 16484
1,1'-(Phenylmethylene)bis(4-methoxybenzene)
CID 82012
Benzene, 2-methoxy-1-(phenylmethoxy)-4-(2-propen-1-yl)-
CID 93649

Frequently Asked Questions

What is the IUPAC name of 1-[5-methoxy-2-(3-phenoxycyclohexa-1,3-dien-1-yl)phenyl]-3,5-dimethylbenzene?
The IUPAC name of 1-[5-methoxy-2-(3-phenoxycyclohexa-1,3-dien-1-yl)phenyl]-3,5-dimethylbenzene (CID 173197395) is 1-[5-methoxy-2-(3-phenoxycyclohexa-1,3-dien-1-yl)phenyl]-3,5-dimethylbenzene.
What is the SMILES notation for 1-[5-methoxy-2-(3-phenoxycyclohexa-1,3-dien-1-yl)phenyl]-3,5-dimethylbenzene?
The canonical SMILES for 1-[5-methoxy-2-(3-phenoxycyclohexa-1,3-dien-1-yl)phenyl]-3,5-dimethylbenzene is COc1ccc(C2=CC(Oc3ccccc3)=CCC2)c(-c2cc(C)cc(C)c2)c1.
What is the InChIKey of 1-[5-methoxy-2-(3-phenoxycyclohexa-1,3-dien-1-yl)phenyl]-3,5-dimethylbenzene?
The InChIKey is BCULTOYBBCKNQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H26O2/c1-19-14-20(2)16-22(15-19)27-18-24(28-3)12-13-26(27)21-8-7-11-25(17-21)29-23-9-5-4-6-10-23/h4-6,9-18H,7-8H2,1-3H3.
What are the key properties of 1-[5-methoxy-2-(3-phenoxycyclohexa-1,3-dien-1-yl)phenyl]-3,5-dimethylbenzene?
1-[5-methoxy-2-(3-phenoxycyclohexa-1,3-dien-1-yl)phenyl]-3,5-dimethylbenzene has a molecular weight of 382.50 g/mol, XLogP of 7.12, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-methoxy-2-(3-phenoxycyclohexa-1,3-dien-1-yl)phenyl]-3,5-dimethylbenzene is sourced from PubChem (CID 173197395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).