4,5-di(propan-2-yl)-3,4-dihydro-1H-isochromene

C15H22O — CID 170669206

IUPAC4,5-di(propan-2-yl)-3,4-dihydro-1H-isochromene
SMILESCC(C)c1cccc2c1C(C(C)C)COC2
InChIInChI=1S/C15H22O/c1-10(2)13-7-5-6-12-8-16-9-14(11(3)4)15(12)13/h5-7,10-11,14H,8-9H2,1-4H3
InChIKeyIOBNHPAYEZABHX-UHFFFAOYSA-N
MW218.34 g/mol
LogP4.08
Rot. Bonds2

About 4,5-di(propan-2-yl)-3,4-dihydro-1H-isochromene

4,5-di(propan-2-yl)-3,4-dihydro-1H-isochromene (PubChem CID 170669206) has the molecular formula C15H22O and a molecular weight of 218.34 g/mol. Its IUPAC name is 4,5-di(propan-2-yl)-3,4-dihydro-1H-isochromene.

Molecular Properties

Compound Name4,5-di(propan-2-yl)-3,4-dihydro-1H-isochromene
PubChem CID170669206
Molecular FormulaC15H22O
Molecular Weight218.34 g/mol
Exact Mass218.17
IUPAC Name4,5-di(propan-2-yl)-3,4-dihydro-1H-isochromene
SMILESCC(C)c1cccc2c1C(C(C)C)COC2
InChIInChI=1S/C15H22O/c1-10(2)13-7-5-6-12-8-16-9-14(11(3)4)15(12)13/h5-7,10-11,14H,8-9H2,1-4H3
InChIKeyIOBNHPAYEZABHX-UHFFFAOYSA-N
XLogP4.08
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.34
LogP ≤ 54.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

4-(1-chloroethyl)-3,4-dihydro-1H-isochromene
CID 107150369
5,6-di(propan-2-yl)-2,3,4,5-tetrahydro-1-benzothiepine
CID 170669166
1-(3,4-dihydro-1H-isochromen-4-yl)-2-methylpropan-1-ol
CID 107150366
1-methyl-7-propan-2-yl-2,3-dihydro-1H-indene
CID 158866458
1-(3,4-dihydro-1H-isochromen-4-yl)-N-methylethanamine
CID 107150351
(4S)-N,5-dimethyl-3,4-dihydro-1H-isochromen-4-amine
CID 134223005
1,10-di(propan-2-yl)-7,8,9,10-tetrahydro-5H-oxocino[4,3-c]pyridine
CID 170669164
1,4,7-tris[2,6-di(propan-2-yl)phenyl]-1,4,7-triazonane
CID 20681040
3,3-dimethyl-4-propan-2-yl-1H-2-benzofuran
CID 59734404
1,3-bis[2,6-di(propan-2-yl)phenyl]-2-ethylimidazolidine
CID 129027447
1-[2,6-di(propan-2-yl)phenyl]piperidine
CID 10634131
5-chloro-3,4-dihydro-1H-isochromen-4-amine
CID 57301129

Frequently Asked Questions

What is the IUPAC name of 4,5-di(propan-2-yl)-3,4-dihydro-1H-isochromene?
The IUPAC name of 4,5-di(propan-2-yl)-3,4-dihydro-1H-isochromene (CID 170669206) is 4,5-di(propan-2-yl)-3,4-dihydro-1H-isochromene.
What is the SMILES notation for 4,5-di(propan-2-yl)-3,4-dihydro-1H-isochromene?
The canonical SMILES for 4,5-di(propan-2-yl)-3,4-dihydro-1H-isochromene is CC(C)c1cccc2c1C(C(C)C)COC2.
What is the InChIKey of 4,5-di(propan-2-yl)-3,4-dihydro-1H-isochromene?
The InChIKey is IOBNHPAYEZABHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22O/c1-10(2)13-7-5-6-12-8-16-9-14(11(3)4)15(12)13/h5-7,10-11,14H,8-9H2,1-4H3.
What are the key properties of 4,5-di(propan-2-yl)-3,4-dihydro-1H-isochromene?
4,5-di(propan-2-yl)-3,4-dihydro-1H-isochromene has a molecular weight of 218.34 g/mol, XLogP of 4.08, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-di(propan-2-yl)-3,4-dihydro-1H-isochromene is sourced from PubChem (CID 170669206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).