1-butyl-4-(cyclopropylmethoxy)benzene

C14H20O — CID 70329581

IUPAC1-butyl-4-(cyclopropylmethoxy)benzene
SMILESCCCCc1ccc(OCC2CC2)cc1
InChIInChI=1S/C14H20O/c1-2-3-4-12-7-9-14(10-8-12)15-11-13-5-6-13/h7-10,13H,2-6,11H2,1H3
InChIKeyWCLFXKHONWNTJA-UHFFFAOYSA-N
MW204.31 g/mol
LogP3.82
Rot. Bonds6

About 1-butyl-4-(cyclopropylmethoxy)benzene

1-butyl-4-(cyclopropylmethoxy)benzene (PubChem CID 70329581) has the molecular formula C14H20O and a molecular weight of 204.31 g/mol. Its IUPAC name is 1-butyl-4-(cyclopropylmethoxy)benzene.

Molecular Properties

Compound Name1-butyl-4-(cyclopropylmethoxy)benzene
PubChem CID70329581
Molecular FormulaC14H20O
Molecular Weight204.31 g/mol
Exact Mass204.15
IUPAC Name1-butyl-4-(cyclopropylmethoxy)benzene
SMILESCCCCc1ccc(OCC2CC2)cc1
InChIInChI=1S/C14H20O/c1-2-3-4-12-7-9-14(10-8-12)15-11-13-5-6-13/h7-10,13H,2-6,11H2,1H3
InChIKeyWCLFXKHONWNTJA-UHFFFAOYSA-N
XLogP3.82
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.31
LogP ≤ 53.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-butyl-4-[2-[4-[(4-pentylcyclohexyl)methoxy]phenyl]ethynyl]benzene
CID 67933654
1-pentyl-4-[2-[4-[(4-propylcyclohexyl)methoxy]phenyl]ethynyl]benzene
CID 67933635
2-[4-[(4-decylphenoxy)methyl]cyclohexyl]-5-heptylpyrimidine
CID 21288626
5-decyl-2-[4-[(4-pentylphenoxy)methyl]cyclohexyl]pyrimidine
CID 21288797
5-dodecyl-2-[4-[(4-hexylphenoxy)methyl]cyclohexyl]pyrimidine
CID 70402731
5-pentyl-2-[4-[(4-propylphenoxy)methyl]cyclohexyl]pyrimidine
CID 21288641
1-[4-[(4-propylphenoxy)methyl]cyclohexyl]pentan-1-one
CID 70444198
1-[(4-butoxycyclohexyl)methoxy]-4-ethylbenzene
CID 59982551
1-butyl-4-[[4-[(E)-4-(4-propylcyclohexyl)but-3-en-1-ynyl]cyclohexyl]methoxy]benzene
CID 18657459
3-[[4-(4-pentylphenyl)phenoxy]methyl]-7-oxabicyclo[4.1.0]heptane
CID 58220313
[4-[[4-(4-butylphenyl)phenoxy]methyl]cyclohexyl] (2S)-2-fluorohexanoate
CID 56635326
1-octyl-4-[3-(4-pentylcyclohexyl)propoxy]benzene
CID 19739264

Frequently Asked Questions

What is the IUPAC name of 1-butyl-4-(cyclopropylmethoxy)benzene?
The IUPAC name of 1-butyl-4-(cyclopropylmethoxy)benzene (CID 70329581) is 1-butyl-4-(cyclopropylmethoxy)benzene.
What is the SMILES notation for 1-butyl-4-(cyclopropylmethoxy)benzene?
The canonical SMILES for 1-butyl-4-(cyclopropylmethoxy)benzene is CCCCc1ccc(OCC2CC2)cc1.
What is the InChIKey of 1-butyl-4-(cyclopropylmethoxy)benzene?
The InChIKey is WCLFXKHONWNTJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20O/c1-2-3-4-12-7-9-14(10-8-12)15-11-13-5-6-13/h7-10,13H,2-6,11H2,1H3.
What are the key properties of 1-butyl-4-(cyclopropylmethoxy)benzene?
1-butyl-4-(cyclopropylmethoxy)benzene has a molecular weight of 204.31 g/mol, XLogP of 3.82, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butyl-4-(cyclopropylmethoxy)benzene is sourced from PubChem (CID 70329581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).