(2R)-5-[(2R)-6-hydroxy-2,7,8-trimethyl-3,4-dihydrochromen-2-yl]-2-methylpentanoic acid

C18H26O4 — CID 53481525

IUPAC(2R)-5-[(2R)-6-hydroxy-2,7,8-trimethyl-3,4-dihydrochromen-2-yl]-2-methylpentanoic acid
SMILESCc1c(O)cc2c(c1C)O[C@](C)(CCC[C@@H](C)C(=O)O)CC2
InChIInChI=1S/C18H26O4/c1-11(17(20)21)6-5-8-18(4)9-7-14-10-15(19)12(2)13(3)16(14)22-18/h10-11,19H,5-9H2,1-4H3,(H,20,21)/t11-,18-/m1/s1
InChIKeyCNGKBUHOCIWLHJ-ADLMAVQZSA-N
MW306.40 g/mol
LogP3.98
Rot. Bonds5

About (2R)-5-[(2R)-6-hydroxy-2,7,8-trimethyl-3,4-dihydrochromen-2-yl]-2-methylpentanoic acid

(2R)-5-[(2R)-6-hydroxy-2,7,8-trimethyl-3,4-dihydrochromen-2-yl]-2-methylpentanoic acid (PubChem CID 53481525) has the molecular formula C18H26O4 and a molecular weight of 306.40 g/mol. Its IUPAC name is (2R)-5-[(2R)-6-hydroxy-2,7,8-trimethyl-3,4-dihydrochromen-2-yl]-2-methylpentanoic acid.

Molecular Properties

Compound Name(2R)-5-[(2R)-6-hydroxy-2,7,8-trimethyl-3,4-dihydrochromen-2-yl]-2-methylpentanoic acid
PubChem CID53481525
Molecular FormulaC18H26O4
Molecular Weight306.40 g/mol
Exact Mass306.18
IUPAC Name(2R)-5-[(2R)-6-hydroxy-2,7,8-trimethyl-3,4-dihydrochromen-2-yl]-2-methylpentanoic acid
SMILESCc1c(O)cc2c(c1C)O[C@](C)(CCC[C@@H](C)C(=O)O)CC2
InChIInChI=1S/C18H26O4/c1-11(17(20)21)6-5-8-18(4)9-7-14-10-15(19)12(2)13(3)16(14)22-18/h10-11,19H,5-9H2,1-4H3,(H,20,21)/t11-,18-/m1/s1
InChIKeyCNGKBUHOCIWLHJ-ADLMAVQZSA-N
XLogP3.98
TPSA66.76 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.40
LogP ≤ 53.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2R)-5-[(2R)-6-hydroxy-2,7,8-trimethyl-3,4-dihydrochromen-2-yl]-2-methylpentanoic acid?
The IUPAC name of (2R)-5-[(2R)-6-hydroxy-2,7,8-trimethyl-3,4-dihydrochromen-2-yl]-2-methylpentanoic acid (CID 53481525) is (2R)-5-[(2R)-6-hydroxy-2,7,8-trimethyl-3,4-dihydrochromen-2-yl]-2-methylpentanoic acid.
What is the SMILES notation for (2R)-5-[(2R)-6-hydroxy-2,7,8-trimethyl-3,4-dihydrochromen-2-yl]-2-methylpentanoic acid?
The canonical SMILES for (2R)-5-[(2R)-6-hydroxy-2,7,8-trimethyl-3,4-dihydrochromen-2-yl]-2-methylpentanoic acid is Cc1c(O)cc2c(c1C)O[C@](C)(CCC[C@@H](C)C(=O)O)CC2.
What is the InChIKey of (2R)-5-[(2R)-6-hydroxy-2,7,8-trimethyl-3,4-dihydrochromen-2-yl]-2-methylpentanoic acid?
The InChIKey is CNGKBUHOCIWLHJ-ADLMAVQZSA-N. The full InChI is InChI=1S/C18H26O4/c1-11(17(20)21)6-5-8-18(4)9-7-14-10-15(19)12(2)13(3)16(14)22-18/h10-11,19H,5-9H2,1-4H3,(H,20,21)/t11-,18-/m1/s1.
What are the key properties of (2R)-5-[(2R)-6-hydroxy-2,7,8-trimethyl-3,4-dihydrochromen-2-yl]-2-methylpentanoic acid?
(2R)-5-[(2R)-6-hydroxy-2,7,8-trimethyl-3,4-dihydrochromen-2-yl]-2-methylpentanoic acid has a molecular weight of 306.40 g/mol, XLogP of 3.98, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-5-[(2R)-6-hydroxy-2,7,8-trimethyl-3,4-dihydrochromen-2-yl]-2-methylpentanoic acid is sourced from PubChem (CID 53481525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).