4-(1-tert-butylcyclopropyl)-1,2-dimethoxybenzene

C15H22O2 — CID 58988277

IUPAC4-(1-tert-butylcyclopropyl)-1,2-dimethoxybenzene
SMILESCOc1ccc(C2(C(C)(C)C)CC2)cc1OC
InChIInChI=1S/C15H22O2/c1-14(2,3)15(8-9-15)11-6-7-12(16-4)13(10-11)17-5/h6-7,10H,8-9H2,1-5H3
InChIKeyDGZDKBOTPSMCHF-UHFFFAOYSA-N
MW234.34 g/mol
LogP3.78
Rot. Bonds3

About 4-(1-tert-butylcyclopropyl)-1,2-dimethoxybenzene

4-(1-tert-butylcyclopropyl)-1,2-dimethoxybenzene (PubChem CID 58988277) has the molecular formula C15H22O2 and a molecular weight of 234.34 g/mol. Its IUPAC name is 4-(1-tert-butylcyclopropyl)-1,2-dimethoxybenzene.

Molecular Properties

Compound Name4-(1-tert-butylcyclopropyl)-1,2-dimethoxybenzene
PubChem CID58988277
Molecular FormulaC15H22O2
Molecular Weight234.34 g/mol
Exact Mass234.16
IUPAC Name4-(1-tert-butylcyclopropyl)-1,2-dimethoxybenzene
SMILESCOc1ccc(C2(C(C)(C)C)CC2)cc1OC
InChIInChI=1S/C15H22O2/c1-14(2,3)15(8-9-15)11-6-7-12(16-4)13(10-11)17-5/h6-7,10H,8-9H2,1-5H3
InChIKeyDGZDKBOTPSMCHF-UHFFFAOYSA-N
XLogP3.78
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.34
LogP ≤ 53.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-[1-(3,4-dimethoxyphenyl)cyclopropyl]propan-2-amine
CID 83673806
2-(3,4-dimethoxyphenyl)-2-methylcyclopropan-1-amine
CID 62387494
1-(3,4-dimethoxyphenyl)-4-(trifluoromethyl)cyclohexan-1-ol
CID 64756534
1-(3,4-dimethoxyphenyl)-4-(trifluoromethyl)cyclohexan-1-amine
CID 64756751
N-[[1-(3,4-dimethoxyphenyl)cyclopent-3-en-1-yl]methyl]-2-methylpropan-2-amine
CID 65353147
1-(3,4-dimethoxyphenyl)-3-methoxycyclobutan-1-ol
CID 106823852
[1-(3,4-dimethoxyphenyl)cyclopentyl]methanol
CID 13128207
1-(3,4-dimethoxyphenyl)-2,4-dimethylcyclohexan-1-ol
CID 64756637
N-[[1-(3,4-dimethoxyphenyl)cyclohexyl]methyl]propan-2-amine
CID 62594582
1-(3,4-dimethoxyphenyl)-2-ethylcyclopropan-1-amine
CID 79333872
1-(3,4-dimethoxyphenyl)-2,2-dimethylcyclopropane-1-carbonitrile
CID 116842265
1-(3,4-dimethoxyphenyl)-3-ethylcyclopentan-1-ol
CID 64513841

Frequently Asked Questions

What is the IUPAC name of 4-(1-tert-butylcyclopropyl)-1,2-dimethoxybenzene?
The IUPAC name of 4-(1-tert-butylcyclopropyl)-1,2-dimethoxybenzene (CID 58988277) is 4-(1-tert-butylcyclopropyl)-1,2-dimethoxybenzene.
What is the SMILES notation for 4-(1-tert-butylcyclopropyl)-1,2-dimethoxybenzene?
The canonical SMILES for 4-(1-tert-butylcyclopropyl)-1,2-dimethoxybenzene is COc1ccc(C2(C(C)(C)C)CC2)cc1OC.
What is the InChIKey of 4-(1-tert-butylcyclopropyl)-1,2-dimethoxybenzene?
The InChIKey is DGZDKBOTPSMCHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22O2/c1-14(2,3)15(8-9-15)11-6-7-12(16-4)13(10-11)17-5/h6-7,10H,8-9H2,1-5H3.
What are the key properties of 4-(1-tert-butylcyclopropyl)-1,2-dimethoxybenzene?
4-(1-tert-butylcyclopropyl)-1,2-dimethoxybenzene has a molecular weight of 234.34 g/mol, XLogP of 3.78, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-tert-butylcyclopropyl)-1,2-dimethoxybenzene is sourced from PubChem (CID 58988277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).