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

C19H28O2 — CID 104770871

IUPAC2-(3,4-dihydro-2H-chromen-4-ylmethyl)-4-propylcyclohexan-1-ol
SMILESCCCC1CCC(O)C(CC2CCOc3ccccc32)C1
InChIInChI=1S/C19H28O2/c1-2-5-14-8-9-18(20)16(12-14)13-15-10-11-21-19-7-4-3-6-17(15)19/h3-4,6-7,14-16,18,20H,2,5,8-13H2,1H3
InChIKeyWWKRWTNNZQUXRT-UHFFFAOYSA-N
MW288.43 g/mol
LogP4.52
Rot. Bonds4

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

2-(3,4-dihydro-2H-chromen-4-ylmethyl)-4-propylcyclohexan-1-ol (PubChem CID 104770871) has the molecular formula C19H28O2 and a molecular weight of 288.43 g/mol. Its IUPAC name is 2-(3,4-dihydro-2H-chromen-4-ylmethyl)-4-propylcyclohexan-1-ol.

Molecular Properties

Compound Name2-(3,4-dihydro-2H-chromen-4-ylmethyl)-4-propylcyclohexan-1-ol
PubChem CID104770871
Molecular FormulaC19H28O2
Molecular Weight288.43 g/mol
Exact Mass288.21
IUPAC Name2-(3,4-dihydro-2H-chromen-4-ylmethyl)-4-propylcyclohexan-1-ol
SMILESCCCC1CCC(O)C(CC2CCOc3ccccc32)C1
InChIInChI=1S/C19H28O2/c1-2-5-14-8-9-18(20)16(12-14)13-15-10-11-21-19-7-4-3-6-17(15)19/h3-4,6-7,14-16,18,20H,2,5,8-13H2,1H3
InChIKeyWWKRWTNNZQUXRT-UHFFFAOYSA-N
XLogP4.52
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.43
LogP ≤ 54.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[2-(3,4-dihydro-2H-chromen-4-ylmethyl)-4-ethylcyclohexyl]methanamine
CID 104772516
3-(3,4-dihydro-2H-chromen-4-ylmethyl)oxan-4-ol
CID 106471269
2-(3,4-dihydro-2H-chromen-4-ylmethyl)cyclobutane-1-carboxylic acid
CID 104772491
2-(3,4-dihydro-2H-chromen-4-ylmethyl)-N-propylcyclohexan-1-amine
CID 104771127
ethane;4-ethyl-3,4-dihydro-2H-chromene
CID 169111717
3-(3,4-dihydro-2H-chromen-4-ylmethyl)-2-methylcyclopentan-1-one
CID 104771813
1-cyclopropyl-N-(3,4-dihydro-2H-chromen-4-ylmethyl)methanamine
CID 63708653
1-(3,4-dihydro-2H-chromen-4-yl)pentan-2-one
CID 104769754
1-(3,4-dihydro-2H-chromen-4-yl)heptan-4-one
CID 104771801
3-(3,4-dihydro-2H-chromen-4-ylmethyl)cycloheptan-1-amine
CID 104771828
[(4R)-3,4-dihydro-2H-chromen-4-yl]methanamine
CID 51887493
[(4S)-3,4-dihydro-2H-chromen-4-yl]methanamine
CID 51887495

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dihydro-2H-chromen-4-ylmethyl)-4-propylcyclohexan-1-ol?
The IUPAC name of 2-(3,4-dihydro-2H-chromen-4-ylmethyl)-4-propylcyclohexan-1-ol (CID 104770871) is 2-(3,4-dihydro-2H-chromen-4-ylmethyl)-4-propylcyclohexan-1-ol.
What is the SMILES notation for 2-(3,4-dihydro-2H-chromen-4-ylmethyl)-4-propylcyclohexan-1-ol?
The canonical SMILES for 2-(3,4-dihydro-2H-chromen-4-ylmethyl)-4-propylcyclohexan-1-ol is CCCC1CCC(O)C(CC2CCOc3ccccc32)C1.
What is the InChIKey of 2-(3,4-dihydro-2H-chromen-4-ylmethyl)-4-propylcyclohexan-1-ol?
The InChIKey is WWKRWTNNZQUXRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28O2/c1-2-5-14-8-9-18(20)16(12-14)13-15-10-11-21-19-7-4-3-6-17(15)19/h3-4,6-7,14-16,18,20H,2,5,8-13H2,1H3.
What are the key properties of 2-(3,4-dihydro-2H-chromen-4-ylmethyl)-4-propylcyclohexan-1-ol?
2-(3,4-dihydro-2H-chromen-4-ylmethyl)-4-propylcyclohexan-1-ol has a molecular weight of 288.43 g/mol, XLogP of 4.52, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dihydro-2H-chromen-4-ylmethyl)-4-propylcyclohexan-1-ol is sourced from PubChem (CID 104770871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).