2-methylidene-7-prop-2-ynoxychromene

C13H10O2 — CID 174339734

IUPAC2-methylidene-7-prop-2-ynoxychromene
SMILESC#CCOc1ccc2c(c1)OC(=C)C=C2
InChIInChI=1S/C13H10O2/c1-3-8-14-12-7-6-11-5-4-10(2)15-13(11)9-12/h1,4-7,9H,2,8H2
InChIKeyGEVRVIZSMASZKH-UHFFFAOYSA-N
MW198.22 g/mol
LogP2.62
Rot. Bonds2

About 2-methylidene-7-prop-2-ynoxychromene

2-methylidene-7-prop-2-ynoxychromene (PubChem CID 174339734) has the molecular formula C13H10O2 and a molecular weight of 198.22 g/mol. Its IUPAC name is 2-methylidene-7-prop-2-ynoxychromene.

Molecular Properties

Compound Name2-methylidene-7-prop-2-ynoxychromene
PubChem CID174339734
Molecular FormulaC13H10O2
Molecular Weight198.22 g/mol
Exact Mass198.07
IUPAC Name2-methylidene-7-prop-2-ynoxychromene
SMILESC#CCOc1ccc2c(c1)OC(=C)C=C2
InChIInChI=1S/C13H10O2/c1-3-8-14-12-7-6-11-5-4-10(2)15-13(11)9-12/h1,4-7,9H,2,8H2
InChIKeyGEVRVIZSMASZKH-UHFFFAOYSA-N
XLogP2.62
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.22
LogP ≤ 52.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2,6-bis(prop-2-ynoxy)naphthalene
CID 12710422
[9-(2-methylphenyl)-3,6-bis(prop-2-ynoxy)xanthen-9-yl] formate
CID 177324263
6-prop-2-ynoxy-1,3-benzoxazole
CID 117098389
2-methyl-4-prop-2-ynoxybenzaldehyde
CID 79119365
4-prop-2-ynoxybenzenethiol
CID 155088552
1-ethoxy-4-prop-2-ynoxybenzene
CID 20701293
2-bromo-1-methyl-4-prop-2-ynoxybenzene
CID 131137666
1-bromo-2-fluoro-4-prop-2-ynoxybenzene
CID 65204026
(1R)-1-(4-prop-2-ynoxyphenyl)ethanamine
CID 63367592
N-propyl-6-prop-2-ynoxy-2,3-dihydro-1-benzofuran-3-amine
CID 63096581
1-fluoro-2-isothiocyanato-4-prop-2-ynoxybenzene
CID 125465297
1-[[4-[bis[2,4-bis(prop-2-ynoxy)phenyl]methyl]phenyl]-[2,4-bis(prop-2-ynoxy)phenyl]methyl]-2,4-bis(prop-2-ynoxy)benzene
CID 132839243

Frequently Asked Questions

What is the IUPAC name of 2-methylidene-7-prop-2-ynoxychromene?
The IUPAC name of 2-methylidene-7-prop-2-ynoxychromene (CID 174339734) is 2-methylidene-7-prop-2-ynoxychromene.
What is the SMILES notation for 2-methylidene-7-prop-2-ynoxychromene?
The canonical SMILES for 2-methylidene-7-prop-2-ynoxychromene is C#CCOc1ccc2c(c1)OC(=C)C=C2.
What is the InChIKey of 2-methylidene-7-prop-2-ynoxychromene?
The InChIKey is GEVRVIZSMASZKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10O2/c1-3-8-14-12-7-6-11-5-4-10(2)15-13(11)9-12/h1,4-7,9H,2,8H2.
What are the key properties of 2-methylidene-7-prop-2-ynoxychromene?
2-methylidene-7-prop-2-ynoxychromene has a molecular weight of 198.22 g/mol, XLogP of 2.62, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylidene-7-prop-2-ynoxychromene is sourced from PubChem (CID 174339734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).