2-methyl-4-propan-2-yl-3-[(Z)-prop-1-enyl]-6,7-dihydro-1-benzofuran

C15H20O — CID 144613081

IUPAC2-methyl-4-propan-2-yl-3-[(Z)-prop-1-enyl]-6,7-dihydro-1-benzofuran
SMILESC/C=C\c1c(C)oc2c1C(C(C)C)=CCC2
InChIInChI=1S/C15H20O/c1-5-7-13-11(4)16-14-9-6-8-12(10(2)3)15(13)14/h5,7-8,10H,6,9H2,1-4H3/b7-5-
InChIKeyCAAGLTOCKYYIAP-ALCCZGGFSA-N
MW216.32 g/mol
LogP4.61
Rot. Bonds2

About 2-methyl-4-propan-2-yl-3-[(Z)-prop-1-enyl]-6,7-dihydro-1-benzofuran

2-methyl-4-propan-2-yl-3-[(Z)-prop-1-enyl]-6,7-dihydro-1-benzofuran (PubChem CID 144613081) has the molecular formula C15H20O and a molecular weight of 216.32 g/mol. Its IUPAC name is 2-methyl-4-propan-2-yl-3-[(Z)-prop-1-enyl]-6,7-dihydro-1-benzofuran.

Molecular Properties

Compound Name2-methyl-4-propan-2-yl-3-[(Z)-prop-1-enyl]-6,7-dihydro-1-benzofuran
PubChem CID144613081
Molecular FormulaC15H20O
Molecular Weight216.32 g/mol
Exact Mass216.15
IUPAC Name2-methyl-4-propan-2-yl-3-[(Z)-prop-1-enyl]-6,7-dihydro-1-benzofuran
SMILESC/C=C\c1c(C)oc2c1C(C(C)C)=CCC2
InChIInChI=1S/C15H20O/c1-5-7-13-11(4)16-14-9-6-8-12(10(2)3)15(13)14/h5,7-8,10H,6,9H2,1-4H3/b7-5-
InChIKeyCAAGLTOCKYYIAP-ALCCZGGFSA-N
XLogP4.61
TPSA13.14 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.32
LogP ≤ 54.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-propan-2-yl-3,4-dihydrodibenzofuran
CID 144612953
8-propan-2-yl-1,2,3,4,5,6-hexahydronaphthalene
CID 101316624
4-propan-2-yl-1,2,5,8-tetrahydronaphthalene
CID 101316499
2,6-di(propan-2-yl)cyclohexa-1,5-dien-1-amine
CID 70666053
ethane;6-methyl-4-propan-2-yl-5-[(Z)-prop-1-enyl]-2,3-dihydroquinoline
CID 168983927
1,3-dimethyl-2-[(Z)-prop-1-enyl]benzene;2-methylpropane
CID 143961291
3-chloro-1-methyl-2-[(E)-prop-1-enyl]cyclohexa-1,3-diene
CID 167200063
(1E,3E,7Z)-4,8-di(propan-2-yl)cycloocta-1,3,7-trien-1-amine
CID 146366991
2-ethyl-1,3-di(propan-2-yl)cyclohexa-1,3-diene
CID 153335086
2-ethenyl-5-methyl-3,4-bis[(Z)-prop-1-enyl]furan
CID 142510186
(1E,5E,9E)-1,5,9-trimethyl-12-propan-2-ylcyclotetradeca-1,5,9-triene
CID 171904454
1,5,9-trimethyl-12-propan-2-ylcyclotetradeca-1,5,9-triene
CID 75094485

Frequently Asked Questions

What is the IUPAC name of 2-methyl-4-propan-2-yl-3-[(Z)-prop-1-enyl]-6,7-dihydro-1-benzofuran?
The IUPAC name of 2-methyl-4-propan-2-yl-3-[(Z)-prop-1-enyl]-6,7-dihydro-1-benzofuran (CID 144613081) is 2-methyl-4-propan-2-yl-3-[(Z)-prop-1-enyl]-6,7-dihydro-1-benzofuran.
What is the SMILES notation for 2-methyl-4-propan-2-yl-3-[(Z)-prop-1-enyl]-6,7-dihydro-1-benzofuran?
The canonical SMILES for 2-methyl-4-propan-2-yl-3-[(Z)-prop-1-enyl]-6,7-dihydro-1-benzofuran is C/C=C\c1c(C)oc2c1C(C(C)C)=CCC2.
What is the InChIKey of 2-methyl-4-propan-2-yl-3-[(Z)-prop-1-enyl]-6,7-dihydro-1-benzofuran?
The InChIKey is CAAGLTOCKYYIAP-ALCCZGGFSA-N. The full InChI is InChI=1S/C15H20O/c1-5-7-13-11(4)16-14-9-6-8-12(10(2)3)15(13)14/h5,7-8,10H,6,9H2,1-4H3/b7-5-.
What are the key properties of 2-methyl-4-propan-2-yl-3-[(Z)-prop-1-enyl]-6,7-dihydro-1-benzofuran?
2-methyl-4-propan-2-yl-3-[(Z)-prop-1-enyl]-6,7-dihydro-1-benzofuran has a molecular weight of 216.32 g/mol, XLogP of 4.61, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4-propan-2-yl-3-[(Z)-prop-1-enyl]-6,7-dihydro-1-benzofuran is sourced from PubChem (CID 144613081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).