8-phenylmethoxy-2H-chromene-3-carbaldehyde

C17H14O3 — CID 10611787

IUPAC8-phenylmethoxy-2H-chromene-3-carbaldehyde
SMILESO=CC1=Cc2cccc(OCc3ccccc3)c2OC1
InChIInChI=1S/C17H14O3/c18-10-14-9-15-7-4-8-16(17(15)20-12-14)19-11-13-5-2-1-3-6-13/h1-10H,11-12H2
InChIKeyKYEADCAKIDFPRK-UHFFFAOYSA-N
MW266.30 g/mol
LogP3.24
Rot. Bonds4

About 8-phenylmethoxy-2H-chromene-3-carbaldehyde

8-phenylmethoxy-2H-chromene-3-carbaldehyde (PubChem CID 10611787) has the molecular formula C17H14O3 and a molecular weight of 266.30 g/mol. Its IUPAC name is 8-phenylmethoxy-2H-chromene-3-carbaldehyde.

Molecular Properties

Compound Name8-phenylmethoxy-2H-chromene-3-carbaldehyde
PubChem CID10611787
Molecular FormulaC17H14O3
Molecular Weight266.30 g/mol
Exact Mass266.09
IUPAC Name8-phenylmethoxy-2H-chromene-3-carbaldehyde
SMILESO=CC1=Cc2cccc(OCc3ccccc3)c2OC1
InChIInChI=1S/C17H14O3/c18-10-14-9-15-7-4-8-16(17(15)20-12-14)19-11-13-5-2-1-3-6-13/h1-10H,11-12H2
InChIKeyKYEADCAKIDFPRK-UHFFFAOYSA-N
XLogP3.24
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.30
LogP ≤ 53.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(NE)-N-[(8-phenylmethoxy-2H-chromen-3-yl)methylidene]hydroxylamine
CID 10588898
8-methyl-2H-chromene-3-carbaldehyde
CID 101185474
4-phenylmethoxy-1,3-benzodioxole
CID 14180566
2-(4-oxo-8-phenylmethoxychromen-3-ylidene)acetic acid
CID 139756012
6-(3-phenylpropoxy)-2H-chromene-3-carbaldehyde
CID 14971264
7-(methoxymethoxy)-8-methyl-2H-chromene-3-carbaldehyde
CID 58439013
(4S)-8-phenylmethoxy-3,4-dihydro-2H-chromene-4-carboxylic acid
CID 99499848
6,7-dimethoxy-5-phenylmethoxy-1-benzofuran-3-one
CID 86192191
3,4,5-tris[[3,4,5-tris(phenylmethoxy)phenyl]methoxy]benzaldehyde
CID 101265735
4-(2-hydroxyethyl)-3-oxo-8-phenylmethoxy-1,4-benzoxazine-6-carbaldehyde
CID 82156073
7-[(4-propylphenyl)methoxy]-2H-chromene-3-carbaldehyde
CID 58439114
3-oxo-8-phenylmethoxy-4-prop-2-enyl-1,4-benzoxazine-6-carbaldehyde
CID 82156069

Frequently Asked Questions

What is the IUPAC name of 8-phenylmethoxy-2H-chromene-3-carbaldehyde?
The IUPAC name of 8-phenylmethoxy-2H-chromene-3-carbaldehyde (CID 10611787) is 8-phenylmethoxy-2H-chromene-3-carbaldehyde.
What is the SMILES notation for 8-phenylmethoxy-2H-chromene-3-carbaldehyde?
The canonical SMILES for 8-phenylmethoxy-2H-chromene-3-carbaldehyde is O=CC1=Cc2cccc(OCc3ccccc3)c2OC1.
What is the InChIKey of 8-phenylmethoxy-2H-chromene-3-carbaldehyde?
The InChIKey is KYEADCAKIDFPRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14O3/c18-10-14-9-15-7-4-8-16(17(15)20-12-14)19-11-13-5-2-1-3-6-13/h1-10H,11-12H2.
What are the key properties of 8-phenylmethoxy-2H-chromene-3-carbaldehyde?
8-phenylmethoxy-2H-chromene-3-carbaldehyde has a molecular weight of 266.30 g/mol, XLogP of 3.24, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-phenylmethoxy-2H-chromene-3-carbaldehyde is sourced from PubChem (CID 10611787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).