(E)-3-(2,2-dimethylchromen-6-yl)prop-2-en-1-ol

C14H16O2 — CID 10398415

IUPAC(E)-3-(2,2-dimethylchromen-6-yl)prop-2-en-1-ol
SMILESCC1(C)C=Cc2cc(/C=C/CO)ccc2O1
InChIInChI=1S/C14H16O2/c1-14(2)8-7-12-10-11(4-3-9-15)5-6-13(12)16-14/h3-8,10,15H,9H2,1-2H3/b4-3+
InChIKeyRLSWRLLRQWYLRF-ONEGZZNKSA-N
MW216.28 g/mol
LogP2.88
Rot. Bonds2

About (E)-3-(2,2-dimethylchromen-6-yl)prop-2-en-1-ol

(E)-3-(2,2-dimethylchromen-6-yl)prop-2-en-1-ol (PubChem CID 10398415) has the molecular formula C14H16O2 and a molecular weight of 216.28 g/mol. Its IUPAC name is (E)-3-(2,2-dimethylchromen-6-yl)prop-2-en-1-ol.

Molecular Properties

Compound Name(E)-3-(2,2-dimethylchromen-6-yl)prop-2-en-1-ol
PubChem CID10398415
Molecular FormulaC14H16O2
Molecular Weight216.28 g/mol
Exact Mass216.12
IUPAC Name(E)-3-(2,2-dimethylchromen-6-yl)prop-2-en-1-ol
SMILESCC1(C)C=Cc2cc(/C=C/CO)ccc2O1
InChIInChI=1S/C14H16O2/c1-14(2)8-7-12-10-11(4-3-9-15)5-6-13(12)16-14/h3-8,10,15H,9H2,1-2H3/b4-3+
InChIKeyRLSWRLLRQWYLRF-ONEGZZNKSA-N
XLogP2.88
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.28
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (E)-3-(2,2-dimethylchromen-6-yl)prop-2-en-1-ol?
The IUPAC name of (E)-3-(2,2-dimethylchromen-6-yl)prop-2-en-1-ol (CID 10398415) is (E)-3-(2,2-dimethylchromen-6-yl)prop-2-en-1-ol.
What is the SMILES notation for (E)-3-(2,2-dimethylchromen-6-yl)prop-2-en-1-ol?
The canonical SMILES for (E)-3-(2,2-dimethylchromen-6-yl)prop-2-en-1-ol is CC1(C)C=Cc2cc(/C=C/CO)ccc2O1.
What is the InChIKey of (E)-3-(2,2-dimethylchromen-6-yl)prop-2-en-1-ol?
The InChIKey is RLSWRLLRQWYLRF-ONEGZZNKSA-N. The full InChI is InChI=1S/C14H16O2/c1-14(2)8-7-12-10-11(4-3-9-15)5-6-13(12)16-14/h3-8,10,15H,9H2,1-2H3/b4-3+.
What are the key properties of (E)-3-(2,2-dimethylchromen-6-yl)prop-2-en-1-ol?
(E)-3-(2,2-dimethylchromen-6-yl)prop-2-en-1-ol has a molecular weight of 216.28 g/mol, XLogP of 2.88, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(2,2-dimethylchromen-6-yl)prop-2-en-1-ol is sourced from PubChem (CID 10398415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).