2-cyclohexa-2,4-dien-1-yl-4-propan-2-yl-3,4-dihydro-2H-chromene

C18H22O — CID 163387067

IUPAC2-cyclohexa-2,4-dien-1-yl-4-propan-2-yl-3,4-dihydro-2H-chromene
SMILESCC(C)C1CC(C2C=CC=CC2)Oc2ccccc21
InChIInChI=1S/C18H22O/c1-13(2)16-12-18(14-8-4-3-5-9-14)19-17-11-7-6-10-15(16)17/h3-8,10-11,13-14,16,18H,9,12H2,1-2H3
InChIKeyMFRAHLHKXKOUJQ-UHFFFAOYSA-N
MW254.37 g/mol
LogP4.71
Rot. Bonds2

About 2-cyclohexa-2,4-dien-1-yl-4-propan-2-yl-3,4-dihydro-2H-chromene

2-cyclohexa-2,4-dien-1-yl-4-propan-2-yl-3,4-dihydro-2H-chromene (PubChem CID 163387067) has the molecular formula C18H22O and a molecular weight of 254.37 g/mol. Its IUPAC name is 2-cyclohexa-2,4-dien-1-yl-4-propan-2-yl-3,4-dihydro-2H-chromene.

Molecular Properties

Compound Name2-cyclohexa-2,4-dien-1-yl-4-propan-2-yl-3,4-dihydro-2H-chromene
PubChem CID163387067
Molecular FormulaC18H22O
Molecular Weight254.37 g/mol
Exact Mass254.17
IUPAC Name2-cyclohexa-2,4-dien-1-yl-4-propan-2-yl-3,4-dihydro-2H-chromene
SMILESCC(C)C1CC(C2C=CC=CC2)Oc2ccccc21
InChIInChI=1S/C18H22O/c1-13(2)16-12-18(14-8-4-3-5-9-14)19-17-11-7-6-10-15(16)17/h3-8,10-11,13-14,16,18H,9,12H2,1-2H3
InChIKeyMFRAHLHKXKOUJQ-UHFFFAOYSA-N
XLogP4.71
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.37
LogP ≤ 54.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-cyclohexa-2,4-dien-1-yl-4-propan-2-yl-3,4-dihydro-2H-chromene?
The IUPAC name of 2-cyclohexa-2,4-dien-1-yl-4-propan-2-yl-3,4-dihydro-2H-chromene (CID 163387067) is 2-cyclohexa-2,4-dien-1-yl-4-propan-2-yl-3,4-dihydro-2H-chromene.
What is the SMILES notation for 2-cyclohexa-2,4-dien-1-yl-4-propan-2-yl-3,4-dihydro-2H-chromene?
The canonical SMILES for 2-cyclohexa-2,4-dien-1-yl-4-propan-2-yl-3,4-dihydro-2H-chromene is CC(C)C1CC(C2C=CC=CC2)Oc2ccccc21.
What is the InChIKey of 2-cyclohexa-2,4-dien-1-yl-4-propan-2-yl-3,4-dihydro-2H-chromene?
The InChIKey is MFRAHLHKXKOUJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22O/c1-13(2)16-12-18(14-8-4-3-5-9-14)19-17-11-7-6-10-15(16)17/h3-8,10-11,13-14,16,18H,9,12H2,1-2H3.
What are the key properties of 2-cyclohexa-2,4-dien-1-yl-4-propan-2-yl-3,4-dihydro-2H-chromene?
2-cyclohexa-2,4-dien-1-yl-4-propan-2-yl-3,4-dihydro-2H-chromene has a molecular weight of 254.37 g/mol, XLogP of 4.71, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclohexa-2,4-dien-1-yl-4-propan-2-yl-3,4-dihydro-2H-chromene is sourced from PubChem (CID 163387067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).