9-methyl-10-phenylmethoxy-1,2,3,4-tetrahydrophenanthrene

C22H22O — CID 71501787

IUPAC9-methyl-10-phenylmethoxy-1,2,3,4-tetrahydrophenanthrene
SMILESCc1c(OCc2ccccc2)c2c(c3ccccc13)CCCC2
InChIInChI=1S/C22H22O/c1-16-18-11-5-6-12-19(18)20-13-7-8-14-21(20)22(16)23-15-17-9-3-2-4-10-17/h2-6,9-12H,7-8,13-15H2,1H3
InChIKeyWDNBCIRXAUPITA-UHFFFAOYSA-N
MW302.42 g/mol
LogP5.61
Rot. Bonds3

About 9-methyl-10-phenylmethoxy-1,2,3,4-tetrahydrophenanthrene

9-methyl-10-phenylmethoxy-1,2,3,4-tetrahydrophenanthrene (PubChem CID 71501787) has the molecular formula C22H22O and a molecular weight of 302.42 g/mol. Its IUPAC name is 9-methyl-10-phenylmethoxy-1,2,3,4-tetrahydrophenanthrene.

Molecular Properties

Compound Name9-methyl-10-phenylmethoxy-1,2,3,4-tetrahydrophenanthrene
PubChem CID71501787
Molecular FormulaC22H22O
Molecular Weight302.42 g/mol
Exact Mass302.17
IUPAC Name9-methyl-10-phenylmethoxy-1,2,3,4-tetrahydrophenanthrene
SMILESCc1c(OCc2ccccc2)c2c(c3ccccc13)CCCC2
InChIInChI=1S/C22H22O/c1-16-18-11-5-6-12-19(18)20-13-7-8-14-21(20)22(16)23-15-17-9-3-2-4-10-17/h2-6,9-12H,7-8,13-15H2,1H3
InChIKeyWDNBCIRXAUPITA-UHFFFAOYSA-N
XLogP5.61
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500302.42
LogP ≤ 55.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 9-methyl-10-phenylmethoxy-1,2,3,4-tetrahydrophenanthrene?
The IUPAC name of 9-methyl-10-phenylmethoxy-1,2,3,4-tetrahydrophenanthrene (CID 71501787) is 9-methyl-10-phenylmethoxy-1,2,3,4-tetrahydrophenanthrene.
What is the SMILES notation for 9-methyl-10-phenylmethoxy-1,2,3,4-tetrahydrophenanthrene?
The canonical SMILES for 9-methyl-10-phenylmethoxy-1,2,3,4-tetrahydrophenanthrene is Cc1c(OCc2ccccc2)c2c(c3ccccc13)CCCC2.
What is the InChIKey of 9-methyl-10-phenylmethoxy-1,2,3,4-tetrahydrophenanthrene?
The InChIKey is WDNBCIRXAUPITA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22O/c1-16-18-11-5-6-12-19(18)20-13-7-8-14-21(20)22(16)23-15-17-9-3-2-4-10-17/h2-6,9-12H,7-8,13-15H2,1H3.
What are the key properties of 9-methyl-10-phenylmethoxy-1,2,3,4-tetrahydrophenanthrene?
9-methyl-10-phenylmethoxy-1,2,3,4-tetrahydrophenanthrene has a molecular weight of 302.42 g/mol, XLogP of 5.61, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 9-methyl-10-phenylmethoxy-1,2,3,4-tetrahydrophenanthrene is sourced from PubChem (CID 71501787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).