6-phenylmethoxy-3,4-dihydronaphthalene-2-carbaldehyde

C18H16O2 — CID 10778027

IUPAC6-phenylmethoxy-3,4-dihydronaphthalene-2-carbaldehyde
SMILESO=CC1=Cc2ccc(OCc3ccccc3)cc2CC1
InChIInChI=1S/C18H16O2/c19-12-15-6-7-17-11-18(9-8-16(17)10-15)20-13-14-4-2-1-3-5-14/h1-5,8-12H,6-7,13H2
InChIKeyIZPLPZZBNJAFRZ-UHFFFAOYSA-N
MW264.32 g/mol
LogP3.79
Rot. Bonds4

About 6-phenylmethoxy-3,4-dihydronaphthalene-2-carbaldehyde

6-phenylmethoxy-3,4-dihydronaphthalene-2-carbaldehyde (PubChem CID 10778027) has the molecular formula C18H16O2 and a molecular weight of 264.32 g/mol. Its IUPAC name is 6-phenylmethoxy-3,4-dihydronaphthalene-2-carbaldehyde.

Molecular Properties

Compound Name6-phenylmethoxy-3,4-dihydronaphthalene-2-carbaldehyde
PubChem CID10778027
Molecular FormulaC18H16O2
Molecular Weight264.32 g/mol
Exact Mass264.12
IUPAC Name6-phenylmethoxy-3,4-dihydronaphthalene-2-carbaldehyde
SMILESO=CC1=Cc2ccc(OCc3ccccc3)cc2CC1
InChIInChI=1S/C18H16O2/c19-12-15-6-7-17-11-18(9-8-16(17)10-15)20-13-14-4-2-1-3-5-14/h1-5,8-12H,6-7,13H2
InChIKeyIZPLPZZBNJAFRZ-UHFFFAOYSA-N
XLogP3.79
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.32
LogP ≤ 53.79
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

CID 176987273
CID 176987273
N-[(7-phenylmethoxy-3,4-dihydronaphthalen-2-yl)methylidene]hydroxylamine
CID 85289014
1-methyl-6-phenylmethoxy-3,4-dihydronaphthalene-2-carbaldehyde
CID 23121517
6-phenylmethoxy-1,2,3,4-tetrahydronaphthalene-2-carbaldehyde
CID 52952267
1-methyl-6-phenylmethoxy-3,4-dihydronaphthalene-2-carbaldehyde;phosphoryl trichloride
CID 139438489
2-(cyclobutylmethylidene)-6-phenylmethoxy-3,4-dihydronaphthalen-1-one
CID 170649253
2-bromo-4-phenylmethoxybenzaldehyde
CID 11173819
(2E)-2-(5-phenylmethoxy-2,3-dihydroinden-1-ylidene)acetate
CID 23111685
4-methyl-7-phenylmethoxy-1,2-dihydronaphthalene
CID 23121671
3-phenylmethoxy-7,8,9,10-tetrahydro-5H-benzo[8]annulen-6-one
CID 118324757
2,6-bis(phenylmethoxy)anthracene-9,10-dione
CID 147621413
methyl (2E)-2-(5-phenylmethoxy-2,3-dihydroinden-1-ylidene)acetate
CID 59590801

Frequently Asked Questions

What is the IUPAC name of 6-phenylmethoxy-3,4-dihydronaphthalene-2-carbaldehyde?
The IUPAC name of 6-phenylmethoxy-3,4-dihydronaphthalene-2-carbaldehyde (CID 10778027) is 6-phenylmethoxy-3,4-dihydronaphthalene-2-carbaldehyde.
What is the SMILES notation for 6-phenylmethoxy-3,4-dihydronaphthalene-2-carbaldehyde?
The canonical SMILES for 6-phenylmethoxy-3,4-dihydronaphthalene-2-carbaldehyde is O=CC1=Cc2ccc(OCc3ccccc3)cc2CC1.
What is the InChIKey of 6-phenylmethoxy-3,4-dihydronaphthalene-2-carbaldehyde?
The InChIKey is IZPLPZZBNJAFRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16O2/c19-12-15-6-7-17-11-18(9-8-16(17)10-15)20-13-14-4-2-1-3-5-14/h1-5,8-12H,6-7,13H2.
What are the key properties of 6-phenylmethoxy-3,4-dihydronaphthalene-2-carbaldehyde?
6-phenylmethoxy-3,4-dihydronaphthalene-2-carbaldehyde has a molecular weight of 264.32 g/mol, XLogP of 3.79, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-phenylmethoxy-3,4-dihydronaphthalene-2-carbaldehyde is sourced from PubChem (CID 10778027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).