1-(3,4-dihydro-1H-isochromen-7-ylmethyl)cyclopropan-1-ol

C13H16O2 — CID 117292707

IUPAC1-(3,4-dihydro-1H-isochromen-7-ylmethyl)cyclopropan-1-ol
SMILESOC1(Cc2ccc3c(c2)COCC3)CC1
InChIInChI=1S/C13H16O2/c14-13(4-5-13)8-10-1-2-11-3-6-15-9-12(11)7-10/h1-2,7,14H,3-6,8-9H2
InChIKeyVQPKFIIWOKEUHN-UHFFFAOYSA-N
MW204.27 g/mol
LogP1.83
Rot. Bonds2

About 1-(3,4-dihydro-1H-isochromen-7-ylmethyl)cyclopropan-1-ol

1-(3,4-dihydro-1H-isochromen-7-ylmethyl)cyclopropan-1-ol (PubChem CID 117292707) has the molecular formula C13H16O2 and a molecular weight of 204.27 g/mol. Its IUPAC name is 1-(3,4-dihydro-1H-isochromen-7-ylmethyl)cyclopropan-1-ol.

Molecular Properties

Compound Name1-(3,4-dihydro-1H-isochromen-7-ylmethyl)cyclopropan-1-ol
PubChem CID117292707
Molecular FormulaC13H16O2
Molecular Weight204.27 g/mol
Exact Mass204.12
IUPAC Name1-(3,4-dihydro-1H-isochromen-7-ylmethyl)cyclopropan-1-ol
SMILESOC1(Cc2ccc3c(c2)COCC3)CC1
InChIInChI=1S/C13H16O2/c14-13(4-5-13)8-10-1-2-11-3-6-15-9-12(11)7-10/h1-2,7,14H,3-6,8-9H2
InChIKeyVQPKFIIWOKEUHN-UHFFFAOYSA-N
XLogP1.83
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.27
LogP ≤ 51.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(3,4-dihydro-1H-isochromen-7-ylmethyl)propan-2-amine
CID 59487278
2-[1-(3,4-dihydro-1H-isochromen-7-yl)cyclopropyl]acetic acid
CID 84795332
7-bromo-3,4-dihydro-1H-isochromene
CID 10560525
1-(2,3-dihydro-1H-inden-5-ylmethyl)-4-methylcycloheptan-1-ol
CID 65084707
4-(2,3-dihydro-1H-inden-5-ylmethyl)-1-propylazepan-4-ol
CID 65077468
1-[2-(3,4-dihydro-1H-isochromen-7-yl)ethyl]piperazine
CID 117368764
1-[(3-chloro-4-morpholin-4-ylphenyl)methyl]cyclopropan-1-ol
CID 117423222
1-[(3,4-dimethylphenyl)methyl]cyclopropan-1-ol
CID 62669689
2-(2,3-dihydro-1H-inden-5-yl)-N-[(3-hydroxyoxolan-3-yl)methyl]acetamide
CID 103849356
2,3-dihydro-1H-indene;3,4-dihydro-1H-isochromene;1,2,3,4-tetrahydronaphthalene
CID 169145384
3,4-dihydro-1H-isochromen-6-ylmethanesulfonamide
CID 165470533
1-(3,4-dihydro-1H-isochromen-6-yl)-2-methylpropan-2-amine
CID 82609980

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dihydro-1H-isochromen-7-ylmethyl)cyclopropan-1-ol?
The IUPAC name of 1-(3,4-dihydro-1H-isochromen-7-ylmethyl)cyclopropan-1-ol (CID 117292707) is 1-(3,4-dihydro-1H-isochromen-7-ylmethyl)cyclopropan-1-ol.
What is the SMILES notation for 1-(3,4-dihydro-1H-isochromen-7-ylmethyl)cyclopropan-1-ol?
The canonical SMILES for 1-(3,4-dihydro-1H-isochromen-7-ylmethyl)cyclopropan-1-ol is OC1(Cc2ccc3c(c2)COCC3)CC1.
What is the InChIKey of 1-(3,4-dihydro-1H-isochromen-7-ylmethyl)cyclopropan-1-ol?
The InChIKey is VQPKFIIWOKEUHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16O2/c14-13(4-5-13)8-10-1-2-11-3-6-15-9-12(11)7-10/h1-2,7,14H,3-6,8-9H2.
What are the key properties of 1-(3,4-dihydro-1H-isochromen-7-ylmethyl)cyclopropan-1-ol?
1-(3,4-dihydro-1H-isochromen-7-ylmethyl)cyclopropan-1-ol has a molecular weight of 204.27 g/mol, XLogP of 1.83, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-dihydro-1H-isochromen-7-ylmethyl)cyclopropan-1-ol is sourced from PubChem (CID 117292707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).