1-(3,4-dihydro-2H-chromen-4-ylmethyl)-4,4-dimethylcycloheptan-1-ol

C19H28O2 — CID 104769272

IUPAC1-(3,4-dihydro-2H-chromen-4-ylmethyl)-4,4-dimethylcycloheptan-1-ol
SMILESCC1(C)CCCC(O)(CC2CCOc3ccccc32)CC1
InChIInChI=1S/C19H28O2/c1-18(2)9-5-10-19(20,12-11-18)14-15-8-13-21-17-7-4-3-6-16(15)17/h3-4,6-7,15,20H,5,8-14H2,1-2H3
InChIKeyIOOBXILMIILEOJ-UHFFFAOYSA-N
MW288.43 g/mol
LogP4.66
Rot. Bonds2

About 1-(3,4-dihydro-2H-chromen-4-ylmethyl)-4,4-dimethylcycloheptan-1-ol

1-(3,4-dihydro-2H-chromen-4-ylmethyl)-4,4-dimethylcycloheptan-1-ol (PubChem CID 104769272) has the molecular formula C19H28O2 and a molecular weight of 288.43 g/mol. Its IUPAC name is 1-(3,4-dihydro-2H-chromen-4-ylmethyl)-4,4-dimethylcycloheptan-1-ol.

Molecular Properties

Compound Name1-(3,4-dihydro-2H-chromen-4-ylmethyl)-4,4-dimethylcycloheptan-1-ol
PubChem CID104769272
Molecular FormulaC19H28O2
Molecular Weight288.43 g/mol
Exact Mass288.21
IUPAC Name1-(3,4-dihydro-2H-chromen-4-ylmethyl)-4,4-dimethylcycloheptan-1-ol
SMILESCC1(C)CCCC(O)(CC2CCOc3ccccc32)CC1
InChIInChI=1S/C19H28O2/c1-18(2)9-5-10-19(20,12-11-18)14-15-8-13-21-17-7-4-3-6-16(15)17/h3-4,6-7,15,20H,5,8-14H2,1-2H3
InChIKeyIOOBXILMIILEOJ-UHFFFAOYSA-N
XLogP4.66
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.43
LogP ≤ 54.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3,4-dihydro-2H-chromen-4-ylmethyl)cyclopentan-1-ol
CID 104769122
4-(3,4-dihydro-2H-chromen-4-ylmethyl)-1-methylazepan-4-ol
CID 104769267
3-cyclopropyl-1-(3,4-dihydro-2H-chromen-4-ylmethyl)cyclohexan-1-ol
CID 104769260
1-(3,4-dihydro-2H-chromen-4-ylmethyl)-4-(ethylamino)cyclohexan-1-ol
CID 104772399
1-(3,4-dihydro-2H-chromen-4-ylmethyl)-3-ethylcyclopentan-1-ol
CID 104769259
1-(3,4-dihydro-1H-isochromen-1-ylmethyl)-4,4-dimethylcycloheptan-1-ol
CID 65086149
1-(3,4-dihydro-2H-chromen-4-yl)propan-2-one
CID 14203080
N-(3,4-dihydro-2H-chromen-4-ylmethyl)-3,3-dimethylcyclohexan-1-amine
CID 104768402
1-(3,4-dihydro-2H-chromen-4-yl)-3-(dimethylamino)propan-2-one
CID 104769876
N-(3,4-dihydro-2H-chromen-4-ylmethyl)-1-ethylcyclobutan-1-amine
CID 115907993
ethane;4-ethyl-3,4-dihydro-2H-chromene
CID 169111717
1-(3,4-dihydro-2H-chromen-4-ylmethyl)-4-propan-2-ylcyclohexan-1-amine
CID 104769683

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dihydro-2H-chromen-4-ylmethyl)-4,4-dimethylcycloheptan-1-ol?
The IUPAC name of 1-(3,4-dihydro-2H-chromen-4-ylmethyl)-4,4-dimethylcycloheptan-1-ol (CID 104769272) is 1-(3,4-dihydro-2H-chromen-4-ylmethyl)-4,4-dimethylcycloheptan-1-ol.
What is the SMILES notation for 1-(3,4-dihydro-2H-chromen-4-ylmethyl)-4,4-dimethylcycloheptan-1-ol?
The canonical SMILES for 1-(3,4-dihydro-2H-chromen-4-ylmethyl)-4,4-dimethylcycloheptan-1-ol is CC1(C)CCCC(O)(CC2CCOc3ccccc32)CC1.
What is the InChIKey of 1-(3,4-dihydro-2H-chromen-4-ylmethyl)-4,4-dimethylcycloheptan-1-ol?
The InChIKey is IOOBXILMIILEOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28O2/c1-18(2)9-5-10-19(20,12-11-18)14-15-8-13-21-17-7-4-3-6-16(15)17/h3-4,6-7,15,20H,5,8-14H2,1-2H3.
What are the key properties of 1-(3,4-dihydro-2H-chromen-4-ylmethyl)-4,4-dimethylcycloheptan-1-ol?
1-(3,4-dihydro-2H-chromen-4-ylmethyl)-4,4-dimethylcycloheptan-1-ol has a molecular weight of 288.43 g/mol, XLogP of 4.66, 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-2H-chromen-4-ylmethyl)-4,4-dimethylcycloheptan-1-ol is sourced from PubChem (CID 104769272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).