[(4-methylcyclohexa-1,3-dien-1-yl)-phenyl-propoxymethyl]benzene

C23H26O — CID 129086203

IUPAC[(4-methylcyclohexa-1,3-dien-1-yl)-phenyl-propoxymethyl]benzene
SMILESCCCOC(C1=CC=C(C)CC1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C23H26O/c1-3-18-24-23(20-10-6-4-7-11-20,21-12-8-5-9-13-21)22-16-14-19(2)15-17-22/h4-14,16H,3,15,17-18H2,1-2H3
InChIKeyQTGSMDWLVSPEOK-UHFFFAOYSA-N
MW318.46 g/mol
LogP6.02
Rot. Bonds6

About [(4-methylcyclohexa-1,3-dien-1-yl)-phenyl-propoxymethyl]benzene

[(4-methylcyclohexa-1,3-dien-1-yl)-phenyl-propoxymethyl]benzene (PubChem CID 129086203) has the molecular formula C23H26O and a molecular weight of 318.46 g/mol. Its IUPAC name is [(4-methylcyclohexa-1,3-dien-1-yl)-phenyl-propoxymethyl]benzene.

Molecular Properties

Compound Name[(4-methylcyclohexa-1,3-dien-1-yl)-phenyl-propoxymethyl]benzene
PubChem CID129086203
Molecular FormulaC23H26O
Molecular Weight318.46 g/mol
Exact Mass318.20
IUPAC Name[(4-methylcyclohexa-1,3-dien-1-yl)-phenyl-propoxymethyl]benzene
SMILESCCCOC(C1=CC=C(C)CC1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C23H26O/c1-3-18-24-23(20-10-6-4-7-11-20,21-12-8-5-9-13-21)22-16-14-19(2)15-17-22/h4-14,16H,3,15,17-18H2,1-2H3
InChIKeyQTGSMDWLVSPEOK-UHFFFAOYSA-N
XLogP6.02
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500318.46
LogP ≤ 56.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

heptakis([diphenyl(propoxy)methyl]benzene);2-trityloxyethanol
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(3S)-1-trityloxypentan-3-ol
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2-[(2-methylphenyl)-diphenylmethoxy]ethanamine
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1-tetradecoxy-3-trityloxypropan-2-ol
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(2R)-1-octoxy-3-trityloxypropan-2-ol
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(2R)-1-icosoxy-3-trityloxypropan-2-ol
CID 67327008
1-ethyl-5-(trityloxymethyl)pyrrolidin-2-one
CID 67461366
1,1-diphenyl-1-propoxypropan-2-one
CID 13040855
(3R)-1-trityloxytetradecan-3-ol
CID 15104977
1-trityloxytetradecan-3-ol
CID 71342983
1,1,2,2-tetrahexoxyethylbenzene
CID 3939023

Frequently Asked Questions

What is the IUPAC name of [(4-methylcyclohexa-1,3-dien-1-yl)-phenyl-propoxymethyl]benzene?
The IUPAC name of [(4-methylcyclohexa-1,3-dien-1-yl)-phenyl-propoxymethyl]benzene (CID 129086203) is [(4-methylcyclohexa-1,3-dien-1-yl)-phenyl-propoxymethyl]benzene.
What is the SMILES notation for [(4-methylcyclohexa-1,3-dien-1-yl)-phenyl-propoxymethyl]benzene?
The canonical SMILES for [(4-methylcyclohexa-1,3-dien-1-yl)-phenyl-propoxymethyl]benzene is CCCOC(C1=CC=C(C)CC1)(c1ccccc1)c1ccccc1.
What is the InChIKey of [(4-methylcyclohexa-1,3-dien-1-yl)-phenyl-propoxymethyl]benzene?
The InChIKey is QTGSMDWLVSPEOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26O/c1-3-18-24-23(20-10-6-4-7-11-20,21-12-8-5-9-13-21)22-16-14-19(2)15-17-22/h4-14,16H,3,15,17-18H2,1-2H3.
What are the key properties of [(4-methylcyclohexa-1,3-dien-1-yl)-phenyl-propoxymethyl]benzene?
[(4-methylcyclohexa-1,3-dien-1-yl)-phenyl-propoxymethyl]benzene has a molecular weight of 318.46 g/mol, XLogP of 6.02, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [(4-methylcyclohexa-1,3-dien-1-yl)-phenyl-propoxymethyl]benzene is sourced from PubChem (CID 129086203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).