(4-hexylcyclohexyl)methoxybenzene

C19H30O — CID 57019623

IUPAC(4-hexylcyclohexyl)methoxybenzene
SMILESCCCCCCC1CCC(COc2ccccc2)CC1
InChIInChI=1S/C19H30O/c1-2-3-4-6-9-17-12-14-18(15-13-17)16-20-19-10-7-5-8-11-19/h5,7-8,10-11,17-18H,2-4,6,9,12-16H2,1H3
InChIKeyLZNVFTMPSDZIOU-UHFFFAOYSA-N
MW274.45 g/mol
LogP5.84
Rot. Bonds8

About (4-hexylcyclohexyl)methoxybenzene

(4-hexylcyclohexyl)methoxybenzene (PubChem CID 57019623) has the molecular formula C19H30O and a molecular weight of 274.45 g/mol. Its IUPAC name is (4-hexylcyclohexyl)methoxybenzene.

Molecular Properties

Compound Name(4-hexylcyclohexyl)methoxybenzene
PubChem CID57019623
Molecular FormulaC19H30O
Molecular Weight274.45 g/mol
Exact Mass274.23
IUPAC Name(4-hexylcyclohexyl)methoxybenzene
SMILESCCCCCCC1CCC(COc2ccccc2)CC1
InChIInChI=1S/C19H30O/c1-2-3-4-6-9-17-12-14-18(15-13-17)16-20-19-10-7-5-8-11-19/h5,7-8,10-11,17-18H,2-4,6,9,12-16H2,1H3
InChIKeyLZNVFTMPSDZIOU-UHFFFAOYSA-N
XLogP5.84
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500274.45
LogP ≤ 55.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-[3-(4-heptylcyclohexyl)propoxy]-4-[(4-propylcyclohexyl)methoxy]benzene
CID 19739250
1-[3-(4-ethylcyclohexyl)propoxy]-4-[(4-hexylcyclohexyl)methoxy]benzene
CID 19738873
cyclopropylmethoxybenzene
CID 12712156
1-butoxy-4-[3-(4-heptylcyclohexyl)propoxy]benzene
CID 19738947
1,2,3,4,5,6-hexakis[(4-octylcyclohexyl)methoxy]benzene
CID 19870097
1-octoxy-4-[3-(4-pentylcyclohexyl)propoxy]benzene
CID 54461890
(E)-3-[4-[(4-octylcyclohexyl)methoxy]phenyl]prop-2-enoic acid
CID 68610633
1-[(4-butylcyclohexyl)methoxy]-4-fluorobenzene
CID 173416825
4-(4-ethylcyclohexyl)butoxybenzene
CID 144750158
1-[3-(2-butylcyclohexyl)propoxy]-4-[(4-pentylcyclohexyl)methoxy]benzene
CID 57055997
1-butyl-4-[2-[4-[(4-pentylcyclohexyl)methoxy]phenyl]ethynyl]benzene
CID 67933654
1-[3-(2-heptylcyclohexyl)propoxy]-4-[(4-propylcyclohexyl)methoxy]benzene
CID 57242235

Frequently Asked Questions

What is the IUPAC name of (4-hexylcyclohexyl)methoxybenzene?
The IUPAC name of (4-hexylcyclohexyl)methoxybenzene (CID 57019623) is (4-hexylcyclohexyl)methoxybenzene.
What is the SMILES notation for (4-hexylcyclohexyl)methoxybenzene?
The canonical SMILES for (4-hexylcyclohexyl)methoxybenzene is CCCCCCC1CCC(COc2ccccc2)CC1.
What is the InChIKey of (4-hexylcyclohexyl)methoxybenzene?
The InChIKey is LZNVFTMPSDZIOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30O/c1-2-3-4-6-9-17-12-14-18(15-13-17)16-20-19-10-7-5-8-11-19/h5,7-8,10-11,17-18H,2-4,6,9,12-16H2,1H3.
What are the key properties of (4-hexylcyclohexyl)methoxybenzene?
(4-hexylcyclohexyl)methoxybenzene has a molecular weight of 274.45 g/mol, XLogP of 5.84, 8 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4-hexylcyclohexyl)methoxybenzene is sourced from PubChem (CID 57019623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).