(3S)-5-methyl-3-prop-1-en-2-yl-1,2,3,4-tetrahydronaphthalene-1,8-diol

C14H18O2 — CID 11435916

IUPAC(3S)-5-methyl-3-prop-1-en-2-yl-1,2,3,4-tetrahydronaphthalene-1,8-diol
SMILESC=C(C)[C@H]1Cc2c(C)ccc(O)c2C(O)C1
InChIInChI=1S/C14H18O2/c1-8(2)10-6-11-9(3)4-5-12(15)14(11)13(16)7-10/h4-5,10,13,15-16H,1,6-7H2,2-3H3/t10-,13?/m0/s1
InChIKeyVZOKKCWBOMXRSY-NKUHCKNESA-N
MW218.30 g/mol
LogP2.87
Rot. Bonds1

About (3S)-5-methyl-3-prop-1-en-2-yl-1,2,3,4-tetrahydronaphthalene-1,8-diol

(3S)-5-methyl-3-prop-1-en-2-yl-1,2,3,4-tetrahydronaphthalene-1,8-diol (PubChem CID 11435916) has the molecular formula C14H18O2 and a molecular weight of 218.30 g/mol. Its IUPAC name is (3S)-5-methyl-3-prop-1-en-2-yl-1,2,3,4-tetrahydronaphthalene-1,8-diol.

Molecular Properties

Compound Name(3S)-5-methyl-3-prop-1-en-2-yl-1,2,3,4-tetrahydronaphthalene-1,8-diol
PubChem CID11435916
Molecular FormulaC14H18O2
Molecular Weight218.30 g/mol
Exact Mass218.13
IUPAC Name(3S)-5-methyl-3-prop-1-en-2-yl-1,2,3,4-tetrahydronaphthalene-1,8-diol
SMILESC=C(C)[C@H]1Cc2c(C)ccc(O)c2C(O)C1
InChIInChI=1S/C14H18O2/c1-8(2)10-6-11-9(3)4-5-12(15)14(11)13(16)7-10/h4-5,10,13,15-16H,1,6-7H2,2-3H3/t10-,13?/m0/s1
InChIKeyVZOKKCWBOMXRSY-NKUHCKNESA-N
XLogP2.87
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.30
LogP ≤ 52.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (3S)-5-methyl-3-prop-1-en-2-yl-1,2,3,4-tetrahydronaphthalene-1,8-diol?
The IUPAC name of (3S)-5-methyl-3-prop-1-en-2-yl-1,2,3,4-tetrahydronaphthalene-1,8-diol (CID 11435916) is (3S)-5-methyl-3-prop-1-en-2-yl-1,2,3,4-tetrahydronaphthalene-1,8-diol.
What is the SMILES notation for (3S)-5-methyl-3-prop-1-en-2-yl-1,2,3,4-tetrahydronaphthalene-1,8-diol?
The canonical SMILES for (3S)-5-methyl-3-prop-1-en-2-yl-1,2,3,4-tetrahydronaphthalene-1,8-diol is C=C(C)[C@H]1Cc2c(C)ccc(O)c2C(O)C1.
What is the InChIKey of (3S)-5-methyl-3-prop-1-en-2-yl-1,2,3,4-tetrahydronaphthalene-1,8-diol?
The InChIKey is VZOKKCWBOMXRSY-NKUHCKNESA-N. The full InChI is InChI=1S/C14H18O2/c1-8(2)10-6-11-9(3)4-5-12(15)14(11)13(16)7-10/h4-5,10,13,15-16H,1,6-7H2,2-3H3/t10-,13?/m0/s1.
What are the key properties of (3S)-5-methyl-3-prop-1-en-2-yl-1,2,3,4-tetrahydronaphthalene-1,8-diol?
(3S)-5-methyl-3-prop-1-en-2-yl-1,2,3,4-tetrahydronaphthalene-1,8-diol has a molecular weight of 218.30 g/mol, XLogP of 2.87, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-5-methyl-3-prop-1-en-2-yl-1,2,3,4-tetrahydronaphthalene-1,8-diol is sourced from PubChem (CID 11435916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).