1-(4-heptylcyclohexyl)-4-methoxybenzene;2-(hydroxymethyl)prop-2-enal

C24H38O3 — CID 142282298

IUPAC1-(4-heptylcyclohexyl)-4-methoxybenzene;2-(hydroxymethyl)prop-2-enal
SMILESC=C(C=O)CO.CCCCCCCC1CCC(c2ccc(OC)cc2)CC1
InChIInChI=1S/C20H32O.C4H6O2/c1-3-4-5-6-7-8-17-9-11-18(12-10-17)19-13-15-20(21-2)16-14-19;1-4(2-5)3-6/h13-18H,3-12H2,1-2H3;2,6H,1,3H2
InChIKeyLESLKINTSGXWJY-UHFFFAOYSA-N
MW374.57 g/mol
LogP6.06
Rot. Bonds10

About 1-(4-heptylcyclohexyl)-4-methoxybenzene;2-(hydroxymethyl)prop-2-enal

1-(4-heptylcyclohexyl)-4-methoxybenzene;2-(hydroxymethyl)prop-2-enal (PubChem CID 142282298) has the molecular formula C24H38O3 and a molecular weight of 374.57 g/mol. Its IUPAC name is 1-(4-heptylcyclohexyl)-4-methoxybenzene;2-(hydroxymethyl)prop-2-enal.

Molecular Properties

Compound Name1-(4-heptylcyclohexyl)-4-methoxybenzene;2-(hydroxymethyl)prop-2-enal
PubChem CID142282298
Molecular FormulaC24H38O3
Molecular Weight374.57 g/mol
Exact Mass374.28
IUPAC Name1-(4-heptylcyclohexyl)-4-methoxybenzene;2-(hydroxymethyl)prop-2-enal
SMILESC=C(C=O)CO.CCCCCCCC1CCC(c2ccc(OC)cc2)CC1
InChIInChI=1S/C20H32O.C4H6O2/c1-3-4-5-6-7-8-17-9-11-18(12-10-17)19-13-15-20(21-2)16-14-19;1-4(2-5)3-6/h13-18H,3-12H2,1-2H3;2,6H,1,3H2
InChIKeyLESLKINTSGXWJY-UHFFFAOYSA-N
XLogP6.06
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500374.57
LogP ≤ 56.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze 1-(4-heptylcyclohexyl)-4-methoxybenzene;2-(hydroxymethyl)prop-2-enal with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-methoxy-4-[4-[(4-pentylcyclohexyl)methyl]cyclohexyl]benzene
CID 139724432
1-methoxy-4-[4-(4-octylcyclohexyl)phenyl]benzene
CID 20539339
2-(1,3-dimethoxypropan-2-yl)-6-[6-(4-pentylcyclohexyl)naphthalen-2-yl]naphthalene;bis(2-(hydroxymethyl)prop-2-enal)
CID 142282317
1-[4-(4-butylcyclohexyl)cyclohexyl]-4-methoxybenzene;1-methoxy-4-[4-(4-pentylcyclohexyl)phenyl]benzene
CID 144714458
2-[(dimethylamino)methyl]prop-2-enal;4-(4-heptylcyclohexyl)phenol
CID 142282750
2-(hydroxymethyl)prop-2-enal;[3-hydroxy-2-[4-[6-(4-pentylcyclohexyl)naphthalen-2-yl]cyclohexyl]propyl] 2-(hydroxymethyl)prop-2-enoate
CID 145411556
1-(4-butylcyclohexyl)-4-(4-octylcyclohexyl)benzene
CID 20538404
3-[4-(4-heptylcyclohexyl)phenoxy]propanal
CID 91098007
1-(4-hexylcyclohexyl)-4-[3-(4-hexylcyclohexyl)propoxy]benzene
CID 19738763
1-(4-pentylcyclohexyl)-4-[12-[4-(4-pentylcyclohexyl)phenoxy]dodecoxy]benzene
CID 59583298
1,4-bis[10-[4-(4-pentylcyclohexyl)phenoxy]decoxy]benzene
CID 102012139
1-dodecoxy-4-(4-pentylcyclohexyl)benzene
CID 59711339

Frequently Asked Questions

What is the IUPAC name of 1-(4-heptylcyclohexyl)-4-methoxybenzene;2-(hydroxymethyl)prop-2-enal?
The IUPAC name of 1-(4-heptylcyclohexyl)-4-methoxybenzene;2-(hydroxymethyl)prop-2-enal (CID 142282298) is 1-(4-heptylcyclohexyl)-4-methoxybenzene;2-(hydroxymethyl)prop-2-enal.
What is the SMILES notation for 1-(4-heptylcyclohexyl)-4-methoxybenzene;2-(hydroxymethyl)prop-2-enal?
The canonical SMILES for 1-(4-heptylcyclohexyl)-4-methoxybenzene;2-(hydroxymethyl)prop-2-enal is C=C(C=O)CO.CCCCCCCC1CCC(c2ccc(OC)cc2)CC1.
What is the InChIKey of 1-(4-heptylcyclohexyl)-4-methoxybenzene;2-(hydroxymethyl)prop-2-enal?
The InChIKey is LESLKINTSGXWJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H32O.C4H6O2/c1-3-4-5-6-7-8-17-9-11-18(12-10-17)19-13-15-20(21-2)16-14-19;1-4(2-5)3-6/h13-18H,3-12H2,1-2H3;2,6H,1,3H2.
What are the key properties of 1-(4-heptylcyclohexyl)-4-methoxybenzene;2-(hydroxymethyl)prop-2-enal?
1-(4-heptylcyclohexyl)-4-methoxybenzene;2-(hydroxymethyl)prop-2-enal has a molecular weight of 374.57 g/mol, XLogP of 6.06, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-heptylcyclohexyl)-4-methoxybenzene;2-(hydroxymethyl)prop-2-enal is sourced from PubChem (CID 142282298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).