1-(3,4-dihydro-2H-chromen-3-yl)-2-methylbutan-1-ol

C14H20O2 — CID 79446324

IUPAC1-(3,4-dihydro-2H-chromen-3-yl)-2-methylbutan-1-ol
SMILESCCC(C)C(O)C1COc2ccccc2C1
InChIInChI=1S/C14H20O2/c1-3-10(2)14(15)12-8-11-6-4-5-7-13(11)16-9-12/h4-7,10,12,14-15H,3,8-9H2,1-2H3
InChIKeyOVDIKMCJYHKPDX-UHFFFAOYSA-N
MW220.31 g/mol
LogP2.64
Rot. Bonds3

About 1-(3,4-dihydro-2H-chromen-3-yl)-2-methylbutan-1-ol

1-(3,4-dihydro-2H-chromen-3-yl)-2-methylbutan-1-ol (PubChem CID 79446324) has the molecular formula C14H20O2 and a molecular weight of 220.31 g/mol. Its IUPAC name is 1-(3,4-dihydro-2H-chromen-3-yl)-2-methylbutan-1-ol.

Molecular Properties

Compound Name1-(3,4-dihydro-2H-chromen-3-yl)-2-methylbutan-1-ol
PubChem CID79446324
Molecular FormulaC14H20O2
Molecular Weight220.31 g/mol
Exact Mass220.15
IUPAC Name1-(3,4-dihydro-2H-chromen-3-yl)-2-methylbutan-1-ol
SMILESCCC(C)C(O)C1COc2ccccc2C1
InChIInChI=1S/C14H20O2/c1-3-10(2)14(15)12-8-11-6-4-5-7-13(11)16-9-12/h4-7,10,12,14-15H,3,8-9H2,1-2H3
InChIKeyOVDIKMCJYHKPDX-UHFFFAOYSA-N
XLogP2.64
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.31
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-(3,4-dihydro-2H-chromen-3-yl)-2-methylbutan-1-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-pentan-2-yl-3,4-dihydro-2H-chromene
CID 139513640
1-(3,4-dihydro-2H-chromen-3-yl)-N-ethyl-2-methylprop-2-en-1-amine
CID 79180444
1-(3,4-dihydro-2H-chromen-3-yl)-2-(2-methylphenyl)ethanol
CID 65410770
1-(3,4-dihydro-2H-chromen-3-yl)-2-methyl-N-propylprop-2-en-1-amine
CID 79177519
1-(3,4-dihydro-2H-chromen-3-yl)-3-methylbut-3-en-1-amine
CID 79186066
1-(3,4-dihydro-2H-chromen-3-yl)-4-methyl-N-propylpentan-1-amine
CID 65411094
1-(3,4-dihydro-2H-chromen-3-yl)-N-ethyl-5-methylhexan-1-amine
CID 83161048
3,4-dihydro-2H-chromen-3-yl-(3,4-dimethylphenyl)methanol
CID 65412330
1-(3,4-dihydro-2H-chromen-3-yl)-N-ethyl-2-phenylethanamine
CID 65410502
2,3-dihydro-1-benzofuran-7-yl(3,4-dihydro-2H-chromen-3-yl)methanol
CID 114744588
2-(3,5-difluorophenyl)-1-(3,4-dihydro-2H-chromen-3-yl)ethanol
CID 105405677
N-(2-methylbutyl)-3,4-dihydro-2H-chromen-3-amine
CID 115887352

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dihydro-2H-chromen-3-yl)-2-methylbutan-1-ol?
The IUPAC name of 1-(3,4-dihydro-2H-chromen-3-yl)-2-methylbutan-1-ol (CID 79446324) is 1-(3,4-dihydro-2H-chromen-3-yl)-2-methylbutan-1-ol.
What is the SMILES notation for 1-(3,4-dihydro-2H-chromen-3-yl)-2-methylbutan-1-ol?
The canonical SMILES for 1-(3,4-dihydro-2H-chromen-3-yl)-2-methylbutan-1-ol is CCC(C)C(O)C1COc2ccccc2C1.
What is the InChIKey of 1-(3,4-dihydro-2H-chromen-3-yl)-2-methylbutan-1-ol?
The InChIKey is OVDIKMCJYHKPDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20O2/c1-3-10(2)14(15)12-8-11-6-4-5-7-13(11)16-9-12/h4-7,10,12,14-15H,3,8-9H2,1-2H3.
What are the key properties of 1-(3,4-dihydro-2H-chromen-3-yl)-2-methylbutan-1-ol?
1-(3,4-dihydro-2H-chromen-3-yl)-2-methylbutan-1-ol has a molecular weight of 220.31 g/mol, XLogP of 2.64, 3 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-3-yl)-2-methylbutan-1-ol is sourced from PubChem (CID 79446324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).