1-methoxy-3-(1-phenylmethoxycyclohexa-2,4-dien-1-yl)benzene

C20H20O2 — CID 171034945

IUPAC1-methoxy-3-(1-phenylmethoxycyclohexa-2,4-dien-1-yl)benzene
SMILESCOc1cccc(C2(OCc3ccccc3)C=CC=CC2)c1
InChIInChI=1S/C20H20O2/c1-21-19-12-8-11-18(15-19)20(13-6-3-7-14-20)22-16-17-9-4-2-5-10-17/h2-13,15H,14,16H2,1H3
InChIKeyDXGIGHDGGQZISE-UHFFFAOYSA-N
MW292.38 g/mol
LogP4.62
Rot. Bonds5

About 1-methoxy-3-(1-phenylmethoxycyclohexa-2,4-dien-1-yl)benzene

1-methoxy-3-(1-phenylmethoxycyclohexa-2,4-dien-1-yl)benzene (PubChem CID 171034945) has the molecular formula C20H20O2 and a molecular weight of 292.38 g/mol. Its IUPAC name is 1-methoxy-3-(1-phenylmethoxycyclohexa-2,4-dien-1-yl)benzene.

Molecular Properties

Compound Name1-methoxy-3-(1-phenylmethoxycyclohexa-2,4-dien-1-yl)benzene
PubChem CID171034945
Molecular FormulaC20H20O2
Molecular Weight292.38 g/mol
Exact Mass292.15
IUPAC Name1-methoxy-3-(1-phenylmethoxycyclohexa-2,4-dien-1-yl)benzene
SMILESCOc1cccc(C2(OCc3ccccc3)C=CC=CC2)c1
InChIInChI=1S/C20H20O2/c1-21-19-12-8-11-18(15-19)20(13-6-3-7-14-20)22-16-17-9-4-2-5-10-17/h2-13,15H,14,16H2,1H3
InChIKeyDXGIGHDGGQZISE-UHFFFAOYSA-N
XLogP4.62
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.38
LogP ≤ 54.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 1-methoxy-3-(1-phenylmethoxycyclohexa-2,4-dien-1-yl)benzene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[[1-(3-methoxyphenyl)cyclopent-3-en-1-yl]methyl]-2-methylpropan-1-amine
CID 65353208
N-[2-[1-[(3-methoxyphenyl)methoxy]cyclobutyl]ethyl]-2-methylpropan-1-amine
CID 103272972
2-(3-methoxyphenyl)-N-[(3-phenylmethoxyphenyl)methyl]ethanamine
CID 177381530
1-(3-methoxyphenyl)cyclopent-3-ene-1-carboxylic acid
CID 65353654
1-methoxy-3-[1,4,4-tris(3-methoxyphenyl)cyclohexyl]benzene
CID 23534042
1-(3-methoxyphenyl)-4-(2-phenylethylamino)cyclohexane-1-carbonitrile
CID 23133712
2-(3-methoxyphenyl)-2-methyl-1-(2-phenylmethoxyethyl)-1-azoniabicyclo[2.2.2]octane bromide
CID 87855959
3-(3-methoxyphenyl)-3-methyldiaziridine
CID 167685636
[3-[[2-(3-methoxyphenyl)ethylamino]methyl]oxetan-3-yl]methanol
CID 115249101
1-[2-(3-methoxyphenyl)ethyl]-3-[(1-phenylcyclopropyl)methyl]urea
CID 113213849
4-[1-benzyl-4-(3-methoxyphenyl)piperidin-4-yl]phenol
CID 22729919
1-(3-methoxyphenyl)-4-[(4-phenylphenyl)methylamino]cyclohexane-1-carbonitrile
CID 23133727

Frequently Asked Questions

What is the IUPAC name of 1-methoxy-3-(1-phenylmethoxycyclohexa-2,4-dien-1-yl)benzene?
The IUPAC name of 1-methoxy-3-(1-phenylmethoxycyclohexa-2,4-dien-1-yl)benzene (CID 171034945) is 1-methoxy-3-(1-phenylmethoxycyclohexa-2,4-dien-1-yl)benzene.
What is the SMILES notation for 1-methoxy-3-(1-phenylmethoxycyclohexa-2,4-dien-1-yl)benzene?
The canonical SMILES for 1-methoxy-3-(1-phenylmethoxycyclohexa-2,4-dien-1-yl)benzene is COc1cccc(C2(OCc3ccccc3)C=CC=CC2)c1.
What is the InChIKey of 1-methoxy-3-(1-phenylmethoxycyclohexa-2,4-dien-1-yl)benzene?
The InChIKey is DXGIGHDGGQZISE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20O2/c1-21-19-12-8-11-18(15-19)20(13-6-3-7-14-20)22-16-17-9-4-2-5-10-17/h2-13,15H,14,16H2,1H3.
What are the key properties of 1-methoxy-3-(1-phenylmethoxycyclohexa-2,4-dien-1-yl)benzene?
1-methoxy-3-(1-phenylmethoxycyclohexa-2,4-dien-1-yl)benzene has a molecular weight of 292.38 g/mol, XLogP of 4.62, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methoxy-3-(1-phenylmethoxycyclohexa-2,4-dien-1-yl)benzene is sourced from PubChem (CID 171034945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).