3-butyl-6-methoxy-2-phenylnaphthalene-1-carbaldehyde

C22H22O2 — CID 142686312

IUPAC3-butyl-6-methoxy-2-phenylnaphthalene-1-carbaldehyde
SMILESCCCCc1cc2cc(OC)ccc2c(C=O)c1-c1ccccc1
InChIInChI=1S/C22H22O2/c1-3-4-8-17-13-18-14-19(24-2)11-12-20(18)21(15-23)22(17)16-9-6-5-7-10-16/h5-7,9-15H,3-4,8H2,1-2H3
InChIKeyJNKCWDRIRQEWCP-UHFFFAOYSA-N
MW318.42 g/mol
LogP5.67
Rot. Bonds6

About 3-butyl-6-methoxy-2-phenylnaphthalene-1-carbaldehyde

3-butyl-6-methoxy-2-phenylnaphthalene-1-carbaldehyde (PubChem CID 142686312) has the molecular formula C22H22O2 and a molecular weight of 318.42 g/mol. Its IUPAC name is 3-butyl-6-methoxy-2-phenylnaphthalene-1-carbaldehyde.

Molecular Properties

Compound Name3-butyl-6-methoxy-2-phenylnaphthalene-1-carbaldehyde
PubChem CID142686312
Molecular FormulaC22H22O2
Molecular Weight318.42 g/mol
Exact Mass318.16
IUPAC Name3-butyl-6-methoxy-2-phenylnaphthalene-1-carbaldehyde
SMILESCCCCc1cc2cc(OC)ccc2c(C=O)c1-c1ccccc1
InChIInChI=1S/C22H22O2/c1-3-4-8-17-13-18-14-19(24-2)11-12-20(18)21(15-23)22(17)16-9-6-5-7-10-16/h5-7,9-15H,3-4,8H2,1-2H3
InChIKeyJNKCWDRIRQEWCP-UHFFFAOYSA-N
XLogP5.67
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500318.42
LogP ≤ 55.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

6-methoxy-1-phenoxy-2-phenyl-3-propylnaphthalene
CID 141134485
3-cyclopropyl-6-methoxy-2-phenylnaphthalene-1-carbaldehyde
CID 142686334
2-butyl-5-methoxybenzaldehyde
CID 10631601
(E)-3-[4-[3-butyl-6-hydroxy-2-(4-methoxyphenyl)naphthalen-1-yl]oxyphenyl]prop-2-enoic acid
CID 25211774
1-(7-methoxy-1-phenylnaphthalen-2-yl)heptan-2-one
CID 159161749
(E)-3-[4-(6-hydroxy-3-pentyl-2-phenylnaphthalen-1-yl)oxyphenyl]prop-2-enoic acid
CID 11561520
2-(3-butylnaphthalen-2-yl)pyridine;3-butyl-2-pyridin-2-ylnaphthalene-1-carbaldehyde
CID 175044459
6-nonyl-3,4-diphenylphthalaldehyde
CID 87274441
7-methoxy-3,4-diphenylnaphthalen-2-ol
CID 170563506
3-[4-[6-methoxy-2-phenyl-3-(3,3,3-trifluoropropyl)naphthalen-1-yl]oxyphenyl]prop-2-enoic acid
CID 68536197
4,5-diheptyl-2-(4-methoxyphenyl)-3-phenylphenol
CID 174287506
1,2-dibutyl-4-methoxybenzene
CID 153315966

Frequently Asked Questions

What is the IUPAC name of 3-butyl-6-methoxy-2-phenylnaphthalene-1-carbaldehyde?
The IUPAC name of 3-butyl-6-methoxy-2-phenylnaphthalene-1-carbaldehyde (CID 142686312) is 3-butyl-6-methoxy-2-phenylnaphthalene-1-carbaldehyde.
What is the SMILES notation for 3-butyl-6-methoxy-2-phenylnaphthalene-1-carbaldehyde?
The canonical SMILES for 3-butyl-6-methoxy-2-phenylnaphthalene-1-carbaldehyde is CCCCc1cc2cc(OC)ccc2c(C=O)c1-c1ccccc1.
What is the InChIKey of 3-butyl-6-methoxy-2-phenylnaphthalene-1-carbaldehyde?
The InChIKey is JNKCWDRIRQEWCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22O2/c1-3-4-8-17-13-18-14-19(24-2)11-12-20(18)21(15-23)22(17)16-9-6-5-7-10-16/h5-7,9-15H,3-4,8H2,1-2H3.
What are the key properties of 3-butyl-6-methoxy-2-phenylnaphthalene-1-carbaldehyde?
3-butyl-6-methoxy-2-phenylnaphthalene-1-carbaldehyde has a molecular weight of 318.42 g/mol, XLogP of 5.67, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-butyl-6-methoxy-2-phenylnaphthalene-1-carbaldehyde is sourced from PubChem (CID 142686312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).