(3R)-2,2,3-trimethyl-5-[(E)-prop-1-enyl]-3H-1-benzofuran

C14H18O — CID 154496153

IUPAC(3R)-2,2,3-trimethyl-5-[(E)-prop-1-enyl]-3H-1-benzofuran
SMILESC/C=C/c1ccc2c(c1)[C@@H](C)C(C)(C)O2
InChIInChI=1S/C14H18O/c1-5-6-11-7-8-13-12(9-11)10(2)14(3,4)15-13/h5-10H,1-4H3/b6-5+/t10-/m1/s1
InChIKeyYXEPEHFXXORWGP-BRAIEQGRSA-N
MW202.30 g/mol
LogP3.99
Rot. Bonds1

About (3R)-2,2,3-trimethyl-5-[(E)-prop-1-enyl]-3H-1-benzofuran

(3R)-2,2,3-trimethyl-5-[(E)-prop-1-enyl]-3H-1-benzofuran (PubChem CID 154496153) has the molecular formula C14H18O and a molecular weight of 202.30 g/mol. Its IUPAC name is (3R)-2,2,3-trimethyl-5-[(E)-prop-1-enyl]-3H-1-benzofuran.

Molecular Properties

Compound Name(3R)-2,2,3-trimethyl-5-[(E)-prop-1-enyl]-3H-1-benzofuran
PubChem CID154496153
Molecular FormulaC14H18O
Molecular Weight202.30 g/mol
Exact Mass202.14
IUPAC Name(3R)-2,2,3-trimethyl-5-[(E)-prop-1-enyl]-3H-1-benzofuran
SMILESC/C=C/c1ccc2c(c1)[C@@H](C)C(C)(C)O2
InChIInChI=1S/C14H18O/c1-5-6-11-7-8-13-12(9-11)10(2)14(3,4)15-13/h5-10H,1-4H3/b6-5+/t10-/m1/s1
InChIKeyYXEPEHFXXORWGP-BRAIEQGRSA-N
XLogP3.99
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.30
LogP ≤ 53.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (3R)-2,2,3-trimethyl-5-[(E)-prop-1-enyl]-3H-1-benzofuran?
The IUPAC name of (3R)-2,2,3-trimethyl-5-[(E)-prop-1-enyl]-3H-1-benzofuran (CID 154496153) is (3R)-2,2,3-trimethyl-5-[(E)-prop-1-enyl]-3H-1-benzofuran.
What is the SMILES notation for (3R)-2,2,3-trimethyl-5-[(E)-prop-1-enyl]-3H-1-benzofuran?
The canonical SMILES for (3R)-2,2,3-trimethyl-5-[(E)-prop-1-enyl]-3H-1-benzofuran is C/C=C/c1ccc2c(c1)[C@@H](C)C(C)(C)O2.
What is the InChIKey of (3R)-2,2,3-trimethyl-5-[(E)-prop-1-enyl]-3H-1-benzofuran?
The InChIKey is YXEPEHFXXORWGP-BRAIEQGRSA-N. The full InChI is InChI=1S/C14H18O/c1-5-6-11-7-8-13-12(9-11)10(2)14(3,4)15-13/h5-10H,1-4H3/b6-5+/t10-/m1/s1.
What are the key properties of (3R)-2,2,3-trimethyl-5-[(E)-prop-1-enyl]-3H-1-benzofuran?
(3R)-2,2,3-trimethyl-5-[(E)-prop-1-enyl]-3H-1-benzofuran has a molecular weight of 202.30 g/mol, XLogP of 3.99, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-2,2,3-trimethyl-5-[(E)-prop-1-enyl]-3H-1-benzofuran is sourced from PubChem (CID 154496153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).