(4S)-2,2-dimethyl-4-propyl-3,4-dihydrochromene

C14H20O — CID 163222504

IUPAC(4S)-2,2-dimethyl-4-propyl-3,4-dihydrochromene
SMILESCCC[C@H]1CC(C)(C)Oc2ccccc21
InChIInChI=1S/C14H20O/c1-4-7-11-10-14(2,3)15-13-9-6-5-8-12(11)13/h5-6,8-9,11H,4,7,10H2,1-3H3/t11-/m0/s1
InChIKeyFMPQJDIZNJVLPK-NSHDSACASA-N
MW204.31 g/mol
LogP4.13
Rot. Bonds2

About (4S)-2,2-dimethyl-4-propyl-3,4-dihydrochromene

(4S)-2,2-dimethyl-4-propyl-3,4-dihydrochromene (PubChem CID 163222504) has the molecular formula C14H20O and a molecular weight of 204.31 g/mol. Its IUPAC name is (4S)-2,2-dimethyl-4-propyl-3,4-dihydrochromene.

Molecular Properties

Compound Name(4S)-2,2-dimethyl-4-propyl-3,4-dihydrochromene
PubChem CID163222504
Molecular FormulaC14H20O
Molecular Weight204.31 g/mol
Exact Mass204.15
IUPAC Name(4S)-2,2-dimethyl-4-propyl-3,4-dihydrochromene
SMILESCCC[C@H]1CC(C)(C)Oc2ccccc21
InChIInChI=1S/C14H20O/c1-4-7-11-10-14(2,3)15-13-9-6-5-8-12(11)13/h5-6,8-9,11H,4,7,10H2,1-3H3/t11-/m0/s1
InChIKeyFMPQJDIZNJVLPK-NSHDSACASA-N
XLogP4.13
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.31
LogP ≤ 54.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

(2,2-dimethyl-3,4-dihydrochromen-4-yl)methanethiol
CID 166881914
2,2-dimethyl-N-pentan-2-yl-3,4-dihydrochromen-4-amine
CID 81137015
1-N-[[(4R)-2,2-dimethyl-3,4-dihydrochromen-4-yl]methyl]-1-N'-phenylethane-1,1-diamine
CID 88677930
1-(2,2-dimethyl-3,4-dihydrochromen-4-yl)-N-methylpropan-1-amine
CID 81137571
N-(2,2-dimethyl-3,4-dihydrochromen-4-yl)-N'-ethyl-N'-propylethane-1,2-diamine
CID 103787781
ethyl 2-(2,2-dimethyl-3,4-dihydrochromen-4-yl)-2-hydroxyacetate
CID 81137214
(4S)-2-ethyl-2-methyl-3,4-dihydrochromen-4-amine
CID 104945969
N-(3-butoxypropyl)-2,2-dimethyl-3,4-dihydrochromen-4-amine
CID 115704436
(4R)-4'-propylspiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-amine
CID 104946149
2,2-dimethyl-N-(4-methylcyclohexyl)-3,4-dihydrochromen-4-amine
CID 81137288
2-[(2,2-dimethyl-3,4-dihydrochromen-4-yl)amino]-N-propylacetamide
CID 81137654
2-[[(2,2-dimethyl-3,4-dihydrochromen-4-yl)amino]methyl]phenol
CID 115697977

Frequently Asked Questions

What is the IUPAC name of (4S)-2,2-dimethyl-4-propyl-3,4-dihydrochromene?
The IUPAC name of (4S)-2,2-dimethyl-4-propyl-3,4-dihydrochromene (CID 163222504) is (4S)-2,2-dimethyl-4-propyl-3,4-dihydrochromene.
What is the SMILES notation for (4S)-2,2-dimethyl-4-propyl-3,4-dihydrochromene?
The canonical SMILES for (4S)-2,2-dimethyl-4-propyl-3,4-dihydrochromene is CCC[C@H]1CC(C)(C)Oc2ccccc21.
What is the InChIKey of (4S)-2,2-dimethyl-4-propyl-3,4-dihydrochromene?
The InChIKey is FMPQJDIZNJVLPK-NSHDSACASA-N. The full InChI is InChI=1S/C14H20O/c1-4-7-11-10-14(2,3)15-13-9-6-5-8-12(11)13/h5-6,8-9,11H,4,7,10H2,1-3H3/t11-/m0/s1.
What are the key properties of (4S)-2,2-dimethyl-4-propyl-3,4-dihydrochromene?
(4S)-2,2-dimethyl-4-propyl-3,4-dihydrochromene has a molecular weight of 204.31 g/mol, XLogP of 4.13, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-2,2-dimethyl-4-propyl-3,4-dihydrochromene is sourced from PubChem (CID 163222504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).