1-[3-(cyclopentyloxymethoxy)phenyl]cyclohexane-1-carbaldehyde

C19H26O3 — CID 57048854

IUPAC1-[3-(cyclopentyloxymethoxy)phenyl]cyclohexane-1-carbaldehyde
SMILESO=CC1(c2cccc(OCOC3CCCC3)c2)CCCCC1
InChIInChI=1S/C19H26O3/c20-14-19(11-4-1-5-12-19)16-7-6-10-18(13-16)22-15-21-17-8-2-3-9-17/h6-7,10,13-14,17H,1-5,8-9,11-12,15H2
InChIKeyBIBHFGQCNXRFNQ-UHFFFAOYSA-N
MW302.41 g/mol
LogP4.38
Rot. Bonds6

About 1-[3-(cyclopentyloxymethoxy)phenyl]cyclohexane-1-carbaldehyde

1-[3-(cyclopentyloxymethoxy)phenyl]cyclohexane-1-carbaldehyde (PubChem CID 57048854) has the molecular formula C19H26O3 and a molecular weight of 302.41 g/mol. Its IUPAC name is 1-[3-(cyclopentyloxymethoxy)phenyl]cyclohexane-1-carbaldehyde.

Molecular Properties

Compound Name1-[3-(cyclopentyloxymethoxy)phenyl]cyclohexane-1-carbaldehyde
PubChem CID57048854
Molecular FormulaC19H26O3
Molecular Weight302.41 g/mol
Exact Mass302.19
IUPAC Name1-[3-(cyclopentyloxymethoxy)phenyl]cyclohexane-1-carbaldehyde
SMILESO=CC1(c2cccc(OCOC3CCCC3)c2)CCCCC1
InChIInChI=1S/C19H26O3/c20-14-19(11-4-1-5-12-19)16-7-6-10-18(13-16)22-15-21-17-8-2-3-9-17/h6-7,10,13-14,17H,1-5,8-9,11-12,15H2
InChIKeyBIBHFGQCNXRFNQ-UHFFFAOYSA-N
XLogP4.38
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.41
LogP ≤ 54.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

1-(3-methoxyphenyl)cyclobutane-1-carbaldehyde
CID 83684685
1-(3-chlorophenyl)cyclohexane-1-carbaldehyde
CID 82127956
1-phenylcyclohexane-1-carbaldehyde
CID 14922606
2-(cyclohexyloxymethoxy)-6-ethylnaphthalene
CID 140648576
1-(4-methoxyphenyl)cyclohexane-1-carbaldehyde
CID 23587235
2-[3-(methoxymethoxy)phenyl]-2-[2-[3-(methoxymethoxy)phenyl]oxan-2-yl]oxyoxane
CID 155665805
1-(3,4-difluorophenyl)cyclohexane-1-carbaldehyde
CID 86614756
[2-[(dimethylamino)methyl]-1-(3-methoxyphenyl)cyclohexyl] formate
CID 3056585
N-[2-(3-methoxyphenyl)-2-methylcyclohexyl]formamide
CID 154088219
[(1S,2R)-2-hydroxy-2-(3-methoxyphenyl)cyclohexyl]methyl-trimethylazanium
CID 7083191
2-tert-butyl-1-(3-methoxyphenyl)cyclohexan-1-ol
CID 60794931
N-[[1-(3-methoxyphenyl)cyclohexyl]methyl]cyclopropanamine
CID 62594616

Frequently Asked Questions

What is the IUPAC name of 1-[3-(cyclopentyloxymethoxy)phenyl]cyclohexane-1-carbaldehyde?
The IUPAC name of 1-[3-(cyclopentyloxymethoxy)phenyl]cyclohexane-1-carbaldehyde (CID 57048854) is 1-[3-(cyclopentyloxymethoxy)phenyl]cyclohexane-1-carbaldehyde.
What is the SMILES notation for 1-[3-(cyclopentyloxymethoxy)phenyl]cyclohexane-1-carbaldehyde?
The canonical SMILES for 1-[3-(cyclopentyloxymethoxy)phenyl]cyclohexane-1-carbaldehyde is O=CC1(c2cccc(OCOC3CCCC3)c2)CCCCC1.
What is the InChIKey of 1-[3-(cyclopentyloxymethoxy)phenyl]cyclohexane-1-carbaldehyde?
The InChIKey is BIBHFGQCNXRFNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26O3/c20-14-19(11-4-1-5-12-19)16-7-6-10-18(13-16)22-15-21-17-8-2-3-9-17/h6-7,10,13-14,17H,1-5,8-9,11-12,15H2.
What are the key properties of 1-[3-(cyclopentyloxymethoxy)phenyl]cyclohexane-1-carbaldehyde?
1-[3-(cyclopentyloxymethoxy)phenyl]cyclohexane-1-carbaldehyde has a molecular weight of 302.41 g/mol, XLogP of 4.38, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(cyclopentyloxymethoxy)phenyl]cyclohexane-1-carbaldehyde is sourced from PubChem (CID 57048854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).