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

C21H18O2 — CID 142686334

IUPAC3-cyclopropyl-6-methoxy-2-phenylnaphthalene-1-carbaldehyde
SMILESCOc1ccc2c(C=O)c(-c3ccccc3)c(C3CC3)cc2c1
InChIInChI=1S/C21H18O2/c1-23-17-9-10-18-16(11-17)12-19(14-7-8-14)21(20(18)13-22)15-5-3-2-4-6-15/h2-6,9-14H,7-8H2,1H3
InChIKeyVOGCEQQFFKWYMT-UHFFFAOYSA-N
MW302.37 g/mol
LogP5.21
Rot. Bonds4

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

3-cyclopropyl-6-methoxy-2-phenylnaphthalene-1-carbaldehyde (PubChem CID 142686334) has the molecular formula C21H18O2 and a molecular weight of 302.37 g/mol. Its IUPAC name is 3-cyclopropyl-6-methoxy-2-phenylnaphthalene-1-carbaldehyde.

Molecular Properties

Compound Name3-cyclopropyl-6-methoxy-2-phenylnaphthalene-1-carbaldehyde
PubChem CID142686334
Molecular FormulaC21H18O2
Molecular Weight302.37 g/mol
Exact Mass302.13
IUPAC Name3-cyclopropyl-6-methoxy-2-phenylnaphthalene-1-carbaldehyde
SMILESCOc1ccc2c(C=O)c(-c3ccccc3)c(C3CC3)cc2c1
InChIInChI=1S/C21H18O2/c1-23-17-9-10-18-16(11-17)12-19(14-7-8-14)21(20(18)13-22)15-5-3-2-4-6-15/h2-6,9-14H,7-8H2,1H3
InChIKeyVOGCEQQFFKWYMT-UHFFFAOYSA-N
XLogP5.21
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500302.37
LogP ≤ 55.21
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

3-cyclopropyl-6-methoxy-2-phenylnaphthalen-1-ol
CID 68539304
3-butyl-6-methoxy-2-phenylnaphthalene-1-carbaldehyde
CID 142686312
7-methoxy-3,4-diphenylnaphthalen-2-ol
CID 170563506
2-cyclopropyl-4-methoxy-1-phenylbenzene
CID 173009156
2,6-dimethoxynaphthalene-1-carbaldehyde
CID 12583354
6-methoxy-2-methylsulfonylnaphthalene-1-carbaldehyde
CID 141001617
2-iodo-6-methoxy-3-methyl-1-phenylnaphthalene
CID 11603199
3-fluoro-4-(6-methoxy-3-methyl-2-phenylnaphthalen-1-yl)oxybenzaldehyde
CID 86616640
2-cyclopropyl-5-methoxy-1-benzofuran-3-carbaldehyde
CID 36995432
6-methoxy-3-phenylselanylnaphthalene-1-carbaldehyde
CID 101486690
6-methoxy-1-phenoxy-2-phenyl-3-propylnaphthalene
CID 141134485
1-[4-(4-methoxyphenyl)phenyl]-2,4,6-triphenyl-3,5-bis(4-phenylphenyl)benzene
CID 138981847

Frequently Asked Questions

What is the IUPAC name of 3-cyclopropyl-6-methoxy-2-phenylnaphthalene-1-carbaldehyde?
The IUPAC name of 3-cyclopropyl-6-methoxy-2-phenylnaphthalene-1-carbaldehyde (CID 142686334) is 3-cyclopropyl-6-methoxy-2-phenylnaphthalene-1-carbaldehyde.
What is the SMILES notation for 3-cyclopropyl-6-methoxy-2-phenylnaphthalene-1-carbaldehyde?
The canonical SMILES for 3-cyclopropyl-6-methoxy-2-phenylnaphthalene-1-carbaldehyde is COc1ccc2c(C=O)c(-c3ccccc3)c(C3CC3)cc2c1.
What is the InChIKey of 3-cyclopropyl-6-methoxy-2-phenylnaphthalene-1-carbaldehyde?
The InChIKey is VOGCEQQFFKWYMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18O2/c1-23-17-9-10-18-16(11-17)12-19(14-7-8-14)21(20(18)13-22)15-5-3-2-4-6-15/h2-6,9-14H,7-8H2,1H3.
What are the key properties of 3-cyclopropyl-6-methoxy-2-phenylnaphthalene-1-carbaldehyde?
3-cyclopropyl-6-methoxy-2-phenylnaphthalene-1-carbaldehyde has a molecular weight of 302.37 g/mol, XLogP of 5.21, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopropyl-6-methoxy-2-phenylnaphthalene-1-carbaldehyde is sourced from PubChem (CID 142686334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).