2-(4-tert-butylcyclohexa-1,3-dien-1-yl)-1,3-dimethoxybenzene

C18H24O2 — CID 175946392

IUPAC2-(4-tert-butylcyclohexa-1,3-dien-1-yl)-1,3-dimethoxybenzene
SMILESCOc1cccc(OC)c1C1=CC=C(C(C)(C)C)CC1
InChIInChI=1S/C18H24O2/c1-18(2,3)14-11-9-13(10-12-14)17-15(19-4)7-6-8-16(17)20-5/h6-9,11H,10,12H2,1-5H3
InChIKeyPPEAHRQXEXMXLV-UHFFFAOYSA-N
MW272.39 g/mol
LogP4.85
Rot. Bonds3

About 2-(4-tert-butylcyclohexa-1,3-dien-1-yl)-1,3-dimethoxybenzene

2-(4-tert-butylcyclohexa-1,3-dien-1-yl)-1,3-dimethoxybenzene (PubChem CID 175946392) has the molecular formula C18H24O2 and a molecular weight of 272.39 g/mol. Its IUPAC name is 2-(4-tert-butylcyclohexa-1,3-dien-1-yl)-1,3-dimethoxybenzene.

Molecular Properties

Compound Name2-(4-tert-butylcyclohexa-1,3-dien-1-yl)-1,3-dimethoxybenzene
PubChem CID175946392
Molecular FormulaC18H24O2
Molecular Weight272.39 g/mol
Exact Mass272.18
IUPAC Name2-(4-tert-butylcyclohexa-1,3-dien-1-yl)-1,3-dimethoxybenzene
SMILESCOc1cccc(OC)c1C1=CC=C(C(C)(C)C)CC1
InChIInChI=1S/C18H24O2/c1-18(2,3)14-11-9-13(10-12-14)17-15(19-4)7-6-8-16(17)20-5/h6-9,11H,10,12H2,1-5H3
InChIKeyPPEAHRQXEXMXLV-UHFFFAOYSA-N
XLogP4.85
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.39
LogP ≤ 54.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3-(2,6-dimethoxyphenyl)cyclopent-2-en-1-one
CID 116811052
1,1-bis(2,3-dimethoxyphenyl)ethanol
CID 126607821
2-(3-chlorocyclopenten-1-yl)-1,3-dimethoxybenzene
CID 116811164
1-(2,6-dimethoxyphenyl)-1-(2-methoxyphenyl)ethanol
CID 116809641
(4-tert-butylcyclopenta-1,3-dien-1-yl)benzene
CID 59251609
4,13,22-trimethoxyheptacyclo[18.7.0.02,10.03,8.011,19.012,17.021,26]heptacosa-1,3(8),4,6,10,12(17),13,15,19,21(26),22,24-dodecaene
CID 10694042
2-(4-tert-butylphenyl)-1-methoxy-3-methylbenzene
CID 143940688
2-(4-tert-butylcyclohexa-1,3-dien-1-yl)propane-2-thiol
CID 91006508
tert-butyl-[(7-methoxy-2,3-dihydroinden-1-ylidene)amino]-oxidosulfanium
CID 174157420
2-(8-methoxy-3,4-dihydronaphthalen-2-yl)-N-methylpropan-2-amine
CID 105490126
1-tert-butyl-4-iodocyclohexa-1,3-diene
CID 70804776
2-(7-methoxy-2,3-dihydro-1H-inden-1-yl)-N-methylpropan-2-amine
CID 105474790

Frequently Asked Questions

What is the IUPAC name of 2-(4-tert-butylcyclohexa-1,3-dien-1-yl)-1,3-dimethoxybenzene?
The IUPAC name of 2-(4-tert-butylcyclohexa-1,3-dien-1-yl)-1,3-dimethoxybenzene (CID 175946392) is 2-(4-tert-butylcyclohexa-1,3-dien-1-yl)-1,3-dimethoxybenzene.
What is the SMILES notation for 2-(4-tert-butylcyclohexa-1,3-dien-1-yl)-1,3-dimethoxybenzene?
The canonical SMILES for 2-(4-tert-butylcyclohexa-1,3-dien-1-yl)-1,3-dimethoxybenzene is COc1cccc(OC)c1C1=CC=C(C(C)(C)C)CC1.
What is the InChIKey of 2-(4-tert-butylcyclohexa-1,3-dien-1-yl)-1,3-dimethoxybenzene?
The InChIKey is PPEAHRQXEXMXLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24O2/c1-18(2,3)14-11-9-13(10-12-14)17-15(19-4)7-6-8-16(17)20-5/h6-9,11H,10,12H2,1-5H3.
What are the key properties of 2-(4-tert-butylcyclohexa-1,3-dien-1-yl)-1,3-dimethoxybenzene?
2-(4-tert-butylcyclohexa-1,3-dien-1-yl)-1,3-dimethoxybenzene has a molecular weight of 272.39 g/mol, XLogP of 4.85, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-tert-butylcyclohexa-1,3-dien-1-yl)-1,3-dimethoxybenzene is sourced from PubChem (CID 175946392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).