(4S)-4-methyl-3,4,5,6-tetrahydro-2H-chromene

C10H14O — CID 88997285

IUPAC(4S)-4-methyl-3,4,5,6-tetrahydro-2H-chromene
SMILESC[C@H]1CCOC2=C1CCC=C2
InChIInChI=1S/C10H14O/c1-8-6-7-11-10-5-3-2-4-9(8)10/h3,5,8H,2,4,6-7H2,1H3/t8-/m0/s1
InChIKeyBWRXXACMRFMWDM-QMMMGPOBSA-N
MW150.22 g/mol
LogP2.65
Rot. Bonds

About (4S)-4-methyl-3,4,5,6-tetrahydro-2H-chromene

(4S)-4-methyl-3,4,5,6-tetrahydro-2H-chromene (PubChem CID 88997285) has the molecular formula C10H14O and a molecular weight of 150.22 g/mol. Its IUPAC name is (4S)-4-methyl-3,4,5,6-tetrahydro-2H-chromene.

Molecular Properties

Compound Name(4S)-4-methyl-3,4,5,6-tetrahydro-2H-chromene
PubChem CID88997285
Molecular FormulaC10H14O
Molecular Weight150.22 g/mol
Exact Mass150.10
IUPAC Name(4S)-4-methyl-3,4,5,6-tetrahydro-2H-chromene
SMILESC[C@H]1CCOC2=C1CCC=C2
InChIInChI=1S/C10H14O/c1-8-6-7-11-10-5-3-2-4-9(8)10/h3,5,8H,2,4,6-7H2,1H3/t8-/m0/s1
InChIKeyBWRXXACMRFMWDM-QMMMGPOBSA-N
XLogP2.65
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500150.22
LogP ≤ 52.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (4S)-4-methyl-3,4,5,6-tetrahydro-2H-chromene?
The IUPAC name of (4S)-4-methyl-3,4,5,6-tetrahydro-2H-chromene (CID 88997285) is (4S)-4-methyl-3,4,5,6-tetrahydro-2H-chromene.
What is the SMILES notation for (4S)-4-methyl-3,4,5,6-tetrahydro-2H-chromene?
The canonical SMILES for (4S)-4-methyl-3,4,5,6-tetrahydro-2H-chromene is C[C@H]1CCOC2=C1CCC=C2.
What is the InChIKey of (4S)-4-methyl-3,4,5,6-tetrahydro-2H-chromene?
The InChIKey is BWRXXACMRFMWDM-QMMMGPOBSA-N. The full InChI is InChI=1S/C10H14O/c1-8-6-7-11-10-5-3-2-4-9(8)10/h3,5,8H,2,4,6-7H2,1H3/t8-/m0/s1.
What are the key properties of (4S)-4-methyl-3,4,5,6-tetrahydro-2H-chromene?
(4S)-4-methyl-3,4,5,6-tetrahydro-2H-chromene has a molecular weight of 150.22 g/mol, XLogP of 2.65, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-4-methyl-3,4,5,6-tetrahydro-2H-chromene is sourced from PubChem (CID 88997285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).