(2-hydroxy-5-propylphenyl)methanediol

C10H14O3 — CID 139434284

IUPAC(2-hydroxy-5-propylphenyl)methanediol
SMILESCCCc1ccc(O)c(C(O)O)c1
InChIInChI=1S/C10H14O3/c1-2-3-7-4-5-9(11)8(6-7)10(12)13/h4-6,10-13H,2-3H2,1H3
InChIKeyCMSHCRFWXFOSQE-UHFFFAOYSA-N
MW182.22 g/mol
LogP1.33
Rot. Bonds3

About (2-hydroxy-5-propylphenyl)methanediol

(2-hydroxy-5-propylphenyl)methanediol (PubChem CID 139434284) has the molecular formula C10H14O3 and a molecular weight of 182.22 g/mol. Its IUPAC name is (2-hydroxy-5-propylphenyl)methanediol.

Molecular Properties

Compound Name(2-hydroxy-5-propylphenyl)methanediol
PubChem CID139434284
Molecular FormulaC10H14O3
Molecular Weight182.22 g/mol
Exact Mass182.09
IUPAC Name(2-hydroxy-5-propylphenyl)methanediol
SMILESCCCc1ccc(O)c(C(O)O)c1
InChIInChI=1S/C10H14O3/c1-2-3-7-4-5-9(11)8(6-7)10(12)13/h4-6,10-13H,2-3H2,1H3
InChIKeyCMSHCRFWXFOSQE-UHFFFAOYSA-N
XLogP1.33
TPSA60.69 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.22
LogP ≤ 51.33
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

2-[1-[2-hydroxy-3-[1-[2-hydroxy-3-[1-(2-hydroxy-5-propylphenyl)ethyl]-5-propylphenyl]ethyl]-5-propylphenyl]ethyl]-6-[1-[2-hydroxy-3-[1-(2-hydroxy-5-propylphenyl)ethyl]-5-propylphenyl]ethyl]-4-propylphenol
CID 23156036
azane;4-propylbenzene-1,2-diol;hydrobromide
CID 18923739
4-hexyl-2-propan-2-ylphenol
CID 154277952
2-[bromo(hydroxy)methyl]-4-octylphenol
CID 129073686
2-[1-(2-hydroxy-4-propylphenyl)butyl]-5-propylphenol
CID 139833142
2-(aminomethyl)-4-propylphenol
CID 12652118
2-ethyl-5-propylphenol
CID 522454
ethane;2-methoxy-4-propylphenol
CID 144852330
2-hydroxy-5-propylcyclohepta-2,4,6-trien-1-one
CID 130028653
1-(4-hydroxy-3-methylphenyl)heptane-3,4-diol
CID 112717303
2-cyclopentyl-4-propylphenol
CID 70792894
2-amino-2-(5-ethyl-2-hydroxyphenyl)acetonitrile
CID 130061052

Frequently Asked Questions

What is the IUPAC name of (2-hydroxy-5-propylphenyl)methanediol?
The IUPAC name of (2-hydroxy-5-propylphenyl)methanediol (CID 139434284) is (2-hydroxy-5-propylphenyl)methanediol.
What is the SMILES notation for (2-hydroxy-5-propylphenyl)methanediol?
The canonical SMILES for (2-hydroxy-5-propylphenyl)methanediol is CCCc1ccc(O)c(C(O)O)c1.
What is the InChIKey of (2-hydroxy-5-propylphenyl)methanediol?
The InChIKey is CMSHCRFWXFOSQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14O3/c1-2-3-7-4-5-9(11)8(6-7)10(12)13/h4-6,10-13H,2-3H2,1H3.
What are the key properties of (2-hydroxy-5-propylphenyl)methanediol?
(2-hydroxy-5-propylphenyl)methanediol has a molecular weight of 182.22 g/mol, XLogP of 1.33, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-hydroxy-5-propylphenyl)methanediol is sourced from PubChem (CID 139434284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).