1-methoxy-3-(4-methylcyclohexen-1-yl)benzene

C14H18O — CID 67868072

IUPAC1-methoxy-3-(4-methylcyclohexen-1-yl)benzene
SMILESCOc1cccc(C2=CCC(C)CC2)c1
InChIInChI=1S/C14H18O/c1-11-6-8-12(9-7-11)13-4-3-5-14(10-13)15-2/h3-5,8,10-11H,6-7,9H2,1-2H3
InChIKeyCZFWRKDBLMXZRU-UHFFFAOYSA-N
MW202.30 g/mol
LogP3.90
Rot. Bonds2

About 1-methoxy-3-(4-methylcyclohexen-1-yl)benzene

1-methoxy-3-(4-methylcyclohexen-1-yl)benzene (PubChem CID 67868072) has the molecular formula C14H18O and a molecular weight of 202.30 g/mol. Its IUPAC name is 1-methoxy-3-(4-methylcyclohexen-1-yl)benzene.

Molecular Properties

Compound Name1-methoxy-3-(4-methylcyclohexen-1-yl)benzene
PubChem CID67868072
Molecular FormulaC14H18O
Molecular Weight202.30 g/mol
Exact Mass202.14
IUPAC Name1-methoxy-3-(4-methylcyclohexen-1-yl)benzene
SMILESCOc1cccc(C2=CCC(C)CC2)c1
InChIInChI=1S/C14H18O/c1-11-6-8-12(9-7-11)13-4-3-5-14(10-13)15-2/h3-5,8,10-11H,6-7,9H2,1-2H3
InChIKeyCZFWRKDBLMXZRU-UHFFFAOYSA-N
XLogP3.90
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.30
LogP ≤ 53.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-methoxy-4-(4-methylcyclohexen-1-yl)benzene
CID 3765590
[4-(3-methoxyphenyl)cyclohex-3-en-1-yl]methanol
CID 142337656
4-(3-methoxyphenyl)-1,2,3,6-tetrahydropyridine;hydrochloride
CID 21289058
5-(3-methoxyphenyl)-2,3,4,7-tetrahydro-1H-azepine
CID 71262155
azane;1-methoxy-3-(3-methoxyphenyl)benzene
CID 174719266
1-methoxy-3-(3-methoxyphenyl)benzene;sulfane
CID 175169762
[2-(methoxymethyl)-4-(4-methylcyclohexen-1-yl)phenyl]methanol
CID 145122115
1-methoxy-3-[4-(4-methoxyphenyl)phenyl]benzene
CID 25138852
(3R,8aR)-6-(3-methoxyphenyl)-3-phenyl-3,7,8,8a-tetrahydro-2H-[1,3]oxazolo[3,2-a]pyridine
CID 10804668
4-(3-methoxyphenyl)-N-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)cyclohex-3-ene-1-carboxamide
CID 175436481
1-cyclopropyl-3-methoxybenzene;methane
CID 169265234
2-(4-methylcyclohexen-1-yl)-6-(3,3,3-trifluoroprop-1-ynyl)naphthalene
CID 145389500

Frequently Asked Questions

What is the IUPAC name of 1-methoxy-3-(4-methylcyclohexen-1-yl)benzene?
The IUPAC name of 1-methoxy-3-(4-methylcyclohexen-1-yl)benzene (CID 67868072) is 1-methoxy-3-(4-methylcyclohexen-1-yl)benzene.
What is the SMILES notation for 1-methoxy-3-(4-methylcyclohexen-1-yl)benzene?
The canonical SMILES for 1-methoxy-3-(4-methylcyclohexen-1-yl)benzene is COc1cccc(C2=CCC(C)CC2)c1.
What is the InChIKey of 1-methoxy-3-(4-methylcyclohexen-1-yl)benzene?
The InChIKey is CZFWRKDBLMXZRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18O/c1-11-6-8-12(9-7-11)13-4-3-5-14(10-13)15-2/h3-5,8,10-11H,6-7,9H2,1-2H3.
What are the key properties of 1-methoxy-3-(4-methylcyclohexen-1-yl)benzene?
1-methoxy-3-(4-methylcyclohexen-1-yl)benzene has a molecular weight of 202.30 g/mol, XLogP of 3.90, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methoxy-3-(4-methylcyclohexen-1-yl)benzene is sourced from PubChem (CID 67868072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).